N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide

C27H24N2O2 — CID 10645141

IUPACN-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C27H24N2O2/c1-19-6-4-7-21(16-19)18-28-26(30)23-14-12-20(13-15-23)17-29-27(31)25-11-5-9-22-8-2-3-10-24(22)25/h2-16H,17-18H2,1H3,(H,28,30)(H,29,31)
InChIKeyXIWUOBIBSLVLPG-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.01
Rot. Bonds6

About N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide

N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide (PubChem CID 10645141) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
PubChem CID10645141
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1
InChIInChI=1S/C27H24N2O2/c1-19-6-4-7-21(16-19)18-28-26(30)23-14-12-20(13-15-23)17-29-27(31)25-11-5-9-22-8-2-3-10-24(22)25/h2-16H,17-18H2,1H3,(H,28,30)(H,29,31)
InChIKeyXIWUOBIBSLVLPG-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
3-methyl-2-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 173082988
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide (CID 10645141) is N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide is Cc1cccc(CNC(=O)c2ccc(CNC(=O)c3cccc4ccccc34)cc2)c1.
What is the InChIKey of N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
The InChIKey is XIWUOBIBSLVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19-6-4-7-21(16-19)18-28-26(30)23-14-12-20(13-15-23)17-29-27(31)25-11-5-9-22-8-2-3-10-24(22)25/h2-16H,17-18H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide?
N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-methylphenyl)methylcarbamoyl]phenyl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 10645141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).