(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide

C21H28N2O — CID 8002682

IUPAC(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-16-9-12-20(13-10-16)15-22-18(3)21(24)23-17(2)11-14-19-7-5-4-6-8-19/h4-10,12-13,17-18,22H,11,14-15H2,1-3H3,(H,23,24)/t17-,18+/m1/s1
InChIKeyAOCYPHLCTCQHHF-MSOLQXFVSA-N
MW324.47 g/mol
LogP3.61
Rot. Bonds8

About (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide

(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 8002682) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID8002682
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-16-9-12-20(13-10-16)15-22-18(3)21(24)23-17(2)11-14-19-7-5-4-6-8-19/h4-10,12-13,17-18,22H,11,14-15H2,1-3H3,(H,23,24)/t17-,18+/m1/s1
InChIKeyAOCYPHLCTCQHHF-MSOLQXFVSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-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

2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
CID 47005814
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
N-(4-methylphenyl)-2-[4-[[[(2S)-4-phenylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 51991185
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-(benzylamino)-N-phenylpropanamide
CID 4877973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 8002682) is (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide is Cc1ccc(CN[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is AOCYPHLCTCQHHF-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16-9-12-20(13-10-16)15-22-18(3)21(24)23-17(2)11-14-19-7-5-4-6-8-19/h4-10,12-13,17-18,22H,11,14-15H2,1-3H3,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 8002682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).