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

C14H22N2O — CID 143330073

IUPAC(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(16-14(17)12(2)15-3)9-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyGOSOODPNXQBBCM-NEPJUHHUSA-N
MW234.34 g/mol
LogP1.73
Rot. Bonds6

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

(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 143330073) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID143330073
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESCN[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C14H22N2O/c1-11(16-14(17)12(2)15-3)9-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17)/t11-,12+/m1/s1
InChIKeyGOSOODPNXQBBCM-NEPJUHHUSA-N
XLogP1.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-N-(4-phenylbutan-2-yl)propanamide
CID 47005814
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
(2S)-2-[(4-methylphenyl)methylamino]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 8002682
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 143330073) is (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide is CN[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is GOSOODPNXQBBCM-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16-14(17)12(2)15-3)9-10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,16,17)/t11-,12+/m1/s1.
What are the key properties of (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 143330073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).