2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide

C20H26N2O — CID 47005814

IUPAC2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
SMILESCc1ccc(NC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15-9-13-19(14-10-15)22-17(3)20(23)21-16(2)11-12-18-7-5-4-6-8-18/h4-10,13-14,16-17,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyDUAXXSFURMFPNA-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide

2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 47005814) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
PubChem CID47005814
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
SMILESCc1ccc(NC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-15-9-13-19(14-10-15)22-17(3)20(23)21-16(2)11-12-18-7-5-4-6-8-18/h4-10,13-14,16-17,22H,11-12H2,1-3H3,(H,21,23)
InChIKeyDUAXXSFURMFPNA-UHFFFAOYSA-N
XLogP3.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51969580
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 125042380
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-methylbenzoate
CID 6915016
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide (CID 47005814) is 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide is Cc1ccc(NC(C)C(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is DUAXXSFURMFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-9-13-19(14-10-15)22-17(3)20(23)21-16(2)11-12-18-7-5-4-6-8-18/h4-10,13-14,16-17,22H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide?
2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 47005814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).