5-amino-2-methyl-N-(4-phenylphenyl)pentanamide

C18H22N2O — CID 104683998

IUPAC5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(6-5-13-19)18(21)20-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13,19H2,1H3,(H,20,21)
InChIKeyPHELMZMXTMWCBW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.67
Rot. Bonds6

About 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide

5-amino-2-methyl-N-(4-phenylphenyl)pentanamide (PubChem CID 104683998) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
PubChem CID104683998
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
SMILESCC(CCCN)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(6-5-13-19)18(21)20-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13,19H2,1H3,(H,20,21)
InChIKeyPHELMZMXTMWCBW-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
5-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 104683445
(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
CID 91424137
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 104683963
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
4-[(5-amino-2-methylpentanoyl)amino]-2-chlorobenzoic acid
CID 112547679
5-[(5-amino-2-methylpentanoyl)amino]-2-bromobenzoic acid
CID 112547696
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-methyl-N-phenylpentanamide
CID 4627801
2-[(5-amino-2-methylpentanoyl)amino]-2-phenylpropanoic acid
CID 115867310

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide (CID 104683998) is 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide is CC(CCCN)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide?
The InChIKey is PHELMZMXTMWCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(6-5-13-19)18(21)20-17-11-9-16(10-12-17)15-7-3-2-4-8-15/h2-4,7-12,14H,5-6,13,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide?
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide has a molecular weight of 282.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 104683998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).