2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide

C27H25NO — CID 90487509

IUPAC2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)c(-c2ccccc2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C27H25NO/c1-3-25(21-14-8-5-9-15-21)28-27(29)26-19(2)24(20-12-6-4-7-13-20)18-22-16-10-11-17-23(22)26/h4-18,25H,3H2,1-2H3,(H,28,29)/t25-/m0/s1
InChIKeyQOWVTTGWMLRCMK-VWLOTQADSA-N
MW379.50 g/mol
LogP6.70
Rot. Bonds5

About 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide

2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide (PubChem CID 90487509) has the molecular formula C27H25NO and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide
PubChem CID90487509
Molecular FormulaC27H25NO
Molecular Weight379.50 g/mol
Exact Mass379.19
IUPAC Name2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide
SMILESCC[C@H](NC(=O)c1c(C)c(-c2ccccc2)cc2ccccc12)c1ccccc1
InChIInChI=1S/C27H25NO/c1-3-25(21-14-8-5-9-15-21)28-27(29)26-19(2)24(20-12-6-4-7-13-20)18-22-16-10-11-17-23(22)26/h4-18,25H,3H2,1-2H3,(H,28,29)/t25-/m0/s1
InChIKeyQOWVTTGWMLRCMK-VWLOTQADSA-N
XLogP6.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
8-methyl-3-methylsulfinyl-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53322796
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
[3-methyl-1-oxo-4-[[(1S)-1-phenylpropyl]carbamoyl]isoquinolin-2-yl]carbamic acid
CID 150861130
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
2-(3-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 53317131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide?
The IUPAC name of 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide (CID 90487509) is 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide is CC[C@H](NC(=O)c1c(C)c(-c2ccccc2)cc2ccccc12)c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide?
The InChIKey is QOWVTTGWMLRCMK-VWLOTQADSA-N. The full InChI is InChI=1S/C27H25NO/c1-3-25(21-14-8-5-9-15-21)28-27(29)26-19(2)24(20-12-6-4-7-13-20)18-22-16-10-11-17-23(22)26/h4-18,25H,3H2,1-2H3,(H,28,29)/t25-/m0/s1.
What are the key properties of 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide?
2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-N-[(1S)-1-phenylpropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90487509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).