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

C21H28N2O2 — CID 2444533

IUPAC(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyIXWCXXMVAFSOAD-IRXDYDNUSA-N
MW340.47 g/mol
LogP3.31
Rot. Bonds9

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

(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide (PubChem CID 2444533) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
PubChem CID2444533
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
SMILESCOc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyIXWCXXMVAFSOAD-IRXDYDNUSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-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-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
CID 51157915
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94013079
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
(2R)-2-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propan-2-ylacetamide
CID 94640724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide (CID 2444533) is (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide is COc1ccc(CN[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
The InChIKey is IXWCXXMVAFSOAD-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(9-10-18-7-5-4-6-8-18)23-21(24)17(2)22-15-19-11-13-20(25-3)14-12-19/h4-8,11-14,16-17,22H,9-10,15H2,1-3H3,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide?
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 2444533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).