N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide

C27H30N2O2 — CID 46052704

IUPACN-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C27H30N2O2/c1-20(2)18-28-26(30)17-22-12-14-25(15-13-22)29(19-23-9-7-8-21(3)16-23)27(31)24-10-5-4-6-11-24/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeyPEYDFKWDKOFGNI-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.16
Rot. Bonds8

About N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide

N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide (PubChem CID 46052704) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
PubChem CID46052704
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
SMILESCc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1
InChIInChI=1S/C27H30N2O2/c1-20(2)18-28-26(30)17-22-12-14-25(15-13-22)29(19-23-9-7-8-21(3)16-23)27(31)24-10-5-4-6-11-24/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeyPEYDFKWDKOFGNI-UHFFFAOYSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
2-[4-[(3-methylphenyl)methylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 46045368
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
(2R)-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745901
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
N-(2-bromopropyl)-2-(3-methylphenyl)acetamide
CID 114308603
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[(3-fluorophenyl)methyl]-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46046244

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide (CID 46052704) is N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide is Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC(C)C)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide?
The InChIKey is PEYDFKWDKOFGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20(2)18-28-26(30)17-22-12-14-25(15-13-22)29(19-23-9-7-8-21(3)16-23)27(31)24-10-5-4-6-11-24/h4-16,20H,17-19H2,1-3H3,(H,28,30).
What are the key properties of N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide?
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 46052704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).