(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide

C18H20N2O2 — CID 10040229

IUPAC(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
SMILESC[C@H](NC(=O)[C@@H](C)CC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(12-17(21)16-10-6-7-11-19-16)18(22)20-14(2)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyPDGSTOMUOFPNCB-KBPBESRZSA-N
MW296.37 g/mol
LogP3.17
Rot. Bonds6

About (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide

(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide (PubChem CID 10040229) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
PubChem CID10040229
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
SMILESC[C@H](NC(=O)[C@@H](C)CC(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13(12-17(21)16-10-6-7-11-19-16)18(22)20-14(2)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyPDGSTOMUOFPNCB-KBPBESRZSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide 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

(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-methyl-N-[(1R)-1-phenylethyl]-3-[[(1S)-1-phenylethyl]amino]propanamide
CID 102214409
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide?
The IUPAC name of (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide (CID 10040229) is (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide.
What is the SMILES notation for (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide?
The canonical SMILES for (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide is C[C@H](NC(=O)[C@@H](C)CC(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide?
The InChIKey is PDGSTOMUOFPNCB-KBPBESRZSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(12-17(21)16-10-6-7-11-19-16)18(22)20-14(2)15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide?
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide has a molecular weight of 296.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 10040229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).