(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide

C18H22N2O2 — CID 9248611

IUPAC(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyVJOUOYSFMAIEDX-KGLIPLIRSA-N
MW298.39 g/mol
LogP3.37
Rot. Bonds6

About (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide

(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide (PubChem CID 9248611) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
PubChem CID9248611
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/t13-,14+/m1/s1
InChIKeyVJOUOYSFMAIEDX-KGLIPLIRSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(4-methoxyanilino)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 2140619
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide (CID 9248611) is (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide is COc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
The InChIKey is VJOUOYSFMAIEDX-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(15-7-5-4-6-8-15)19-14(2)18(21)20-16-9-11-17(22-3)12-10-16/h4-14,19H,1-3H3,(H,20,21)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide?
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 9248611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).