3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide

C19H24N2O — CID 77328442

IUPAC3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
SMILESCCC(C)C(NCc1ccc(-c2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H24N2O/c1-3-14(2)18(19(20)22)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,3,13H2,1-2H3,(H2,20,22)
InChIKeyMVZGWWJFVNIFBI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.34
Rot. Bonds7

About 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide

3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide (PubChem CID 77328442) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
PubChem CID77328442
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
SMILESCCC(C)C(NCc1ccc(-c2ccccc2)cc1)C(N)=O
InChIInChI=1S/C19H24N2O/c1-3-14(2)18(19(20)22)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,3,13H2,1-2H3,(H2,20,22)
InChIKeyMVZGWWJFVNIFBI-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
3-methyl-2-[(4-phenylphenyl)methylamino]butanoic acid
CID 43468629
(2S)-2-(benzylamino)butanamide
CID 131998527
3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
CID 57057226
2-[(4-chlorophenyl)methylamino]-3-methylpentanoic acid
CID 14259258
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
(2R)-2-[(4-phenylphenyl)methylamino]butan-1-ol
CID 834361
methyl 2-[[4-(difluoromethyl)phenyl]methylamino]-3-methylpentanoate
CID 115523737
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091
ethane;methyl 2-(benzylamino)propanoate
CID 91349755

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide?
The IUPAC name of 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide (CID 77328442) is 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide.
What is the SMILES notation for 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide?
The canonical SMILES for 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide is CCC(C)C(NCc1ccc(-c2ccccc2)cc1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide?
The InChIKey is MVZGWWJFVNIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-14(2)18(19(20)22)21-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18,21H,3,13H2,1-2H3,(H2,20,22).
What are the key properties of 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide?
3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide has a molecular weight of 296.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide is sourced from PubChem (CID 77328442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).