N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C134H121N13O8 — CID 160594322

IUPACN-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=C\C(=O)Nc1ccc(C)cc1)c1ccccc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)nc1.Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)nc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)nc1
InChIInChI=1S/C20H17NO.C18H15NO.C17H14N2O.2C17H17NO.C16H15NO.C15H14N2O.C14H12N4O/c1-15-7-13-19(14-8-15)21-20(22)18-11-9-17(10-12-18)16-5-3-2-4-6-16;1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;1-12-6-9-16(18-11-12)19-17(20)15-8-7-13-4-2-3-5-14(13)10-15;1-12-7-9-14(10-8-12)18-17(19)16-11-15(16)13-5-3-2-4-6-13;1-13-8-10-16(11-9-13)18-17(19)12-14(2)15-6-4-3-5-7-15;1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14;1-12-7-9-14(16-11-12)17-15(18)10-8-13-5-3-2-4-6-13;1-9-2-5-13(15-7-9)17-14(19)10-3-4-12-11(6-10)8-16-18-12/h2-14H,1H3,(H,21,22);2-12H,1H3,(H,19,20);2-11H,1H3,(H,18,19,20);2-10,15-16H,11H2,1H3,(H,18,19);3-12H,1-2H3,(H,18,19);2-12H,1H3,(H,17,18);2-11H,1H3,(H,16,17,18);2-8H,1H3,(H,16,18)(H,15,17,19)/b;;;;14-12+;12-9+;10-8+;/t;;;15-,16+;;;;/m...0..../s1
InChIKeyRDKVQYIOKPAHBS-BRHOQSITSA-N
MW2041.52 g/mol
LogP30.09
Rot. Bonds21

About N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 160594322) has the molecular formula C134H121N13O8 and a molecular weight of 2041.52 g/mol. Its IUPAC name is N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID160594322
Molecular FormulaC134H121N13O8
Molecular Weight2041.52 g/mol
Exact Mass2039.95
IUPAC NameN-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESC/C(=C\C(=O)Nc1ccc(C)cc1)c1ccccc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)nc1.Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)nc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)nc1
InChIInChI=1S/C20H17NO.C18H15NO.C17H14N2O.2C17H17NO.C16H15NO.C15H14N2O.C14H12N4O/c1-15-7-13-19(14-8-15)21-20(22)18-11-9-17(10-12-18)16-5-3-2-4-6-16;1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;1-12-6-9-16(18-11-12)19-17(20)15-8-7-13-4-2-3-5-14(13)10-15;1-12-7-9-14(10-8-12)18-17(19)16-11-15(16)13-5-3-2-4-6-13;1-13-8-10-16(11-9-13)18-17(19)12-14(2)15-6-4-3-5-7-15;1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14;1-12-7-9-14(16-11-12)17-15(18)10-8-13-5-3-2-4-6-13;1-9-2-5-13(15-7-9)17-14(19)10-3-4-12-11(6-10)8-16-18-12/h2-14H,1H3,(H,21,22);2-12H,1H3,(H,19,20);2-11H,1H3,(H,18,19,20);2-10,15-16H,11H2,1H3,(H,18,19);3-12H,1-2H3,(H,18,19);2-12H,1H3,(H,17,18);2-11H,1H3,(H,16,17,18);2-8H,1H3,(H,16,18)(H,15,17,19)/b;;;;14-12+;12-9+;10-8+;/t;;;15-,16+;;;;/m...0..../s1
InChIKeyRDKVQYIOKPAHBS-BRHOQSITSA-N
XLogP30.09
TPSA300.15 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002041.52
LogP ≤ 530.09
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 160594322) is N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide is C/C(=C\C(=O)Nc1ccc(C)cc1)c1ccccc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1.Cc1ccc(NC(=O)/C=C/c2ccccc2)nc1.Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1.Cc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(NC(=O)c2ccc3[nH]ncc3c2)nc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1.Cc1ccc(NC(=O)c2ccc3ccccc3c2)nc1.
What is the InChIKey of N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is RDKVQYIOKPAHBS-BRHOQSITSA-N. The full InChI is InChI=1S/C20H17NO.C18H15NO.C17H14N2O.2C17H17NO.C16H15NO.C15H14N2O.C14H12N4O/c1-15-7-13-19(14-8-15)21-20(22)18-11-9-17(10-12-18)16-5-3-2-4-6-16;1-13-6-10-17(11-7-13)19-18(20)16-9-8-14-4-2-3-5-15(14)12-16;1-12-6-9-16(18-11-12)19-17(20)15-8-7-13-4-2-3-5-14(13)10-15;1-12-7-9-14(10-8-12)18-17(19)16-11-15(16)13-5-3-2-4-6-13;1-13-8-10-16(11-9-13)18-17(19)12-14(2)15-6-4-3-5-7-15;1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14;1-12-7-9-14(16-11-12)17-15(18)10-8-13-5-3-2-4-6-13;1-9-2-5-13(15-7-9)17-14(19)10-3-4-12-11(6-10)8-16-18-12/h2-14H,1H3,(H,21,22);2-12H,1H3,(H,19,20);2-11H,1H3,(H,18,19,20);2-10,15-16H,11H2,1H3,(H,18,19);3-12H,1-2H3,(H,18,19);2-12H,1H3,(H,17,18);2-11H,1H3,(H,16,17,18);2-8H,1H3,(H,16,18)(H,15,17,19)/b;;;;14-12+;12-9+;10-8+;/t;;;15-,16+;;;;/m...0..../s1.
What are the key properties of N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 2041.52 g/mol, XLogP of 30.09, 21 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)naphthalene-2-carboxamide;N-(4-methylphenyl)-4-phenylbenzamide;(E)-N-(4-methylphenyl)-3-phenylbut-2-enamide;(E)-N-(4-methylphenyl)-3-phenylprop-2-enamide;N-(5-methyl-2-pyridinyl)-1H-indazole-5-carboxamide;N-(5-methyl-2-pyridinyl)naphthalene-2-carboxamide;(E)-N-(5-methyl-2-pyridinyl)-3-phenylprop-2-enamide;trans-(1R,2R)-N-(4-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 160594322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).