(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane

C23H32N2O2 — CID 143236897

IUPAC(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
SMILESCC.CC[C@H](C(=O)NCc1cc(C2CC2)cnc1OC)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2.C2H6/c1-4-19(16-7-5-14(2)6-8-16)20(24)22-13-18-11-17(15-9-10-15)12-23-21(18)25-3;1-2/h5-8,11-12,15,19H,4,9-10,13H2,1-3H3,(H,22,24);1-2H3/t19-;/m0./s1
InChIKeyNFNUQKCFRXEZCT-FYZYNONXSA-N
MW368.52 g/mol
LogP5.11
Rot. Bonds7

About (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane

(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane (PubChem CID 143236897) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane.

Molecular Properties

Compound Name(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
PubChem CID143236897
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane
SMILESCC.CC[C@H](C(=O)NCc1cc(C2CC2)cnc1OC)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2.C2H6/c1-4-19(16-7-5-14(2)6-8-16)20(24)22-13-18-11-17(15-9-10-15)12-23-21(18)25-3;1-2/h5-8,11-12,15,19H,4,9-10,13H2,1-3H3,(H,22,24);1-2H3/t19-;/m0./s1
InChIKeyNFNUQKCFRXEZCT-FYZYNONXSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane 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

N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-3,3,3-trifluoro-2-phenylpropanamide
CID 11501454
(2S)-N-[[5-(fluoromethyl)-2-methoxy-3-pyridinyl]methyl]-2-(3-methylphenyl)butanamide
CID 71102711
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
N-acetyl-2-(4-methylphenyl)butanamide
CID 176949258
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 120668226
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(2R)-N-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
CID 92772191

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane?
The IUPAC name of (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane (CID 143236897) is (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane.
What is the SMILES notation for (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane?
The canonical SMILES for (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane is CC.CC[C@H](C(=O)NCc1cc(C2CC2)cnc1OC)c1ccc(C)cc1.
What is the InChIKey of (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane?
The InChIKey is NFNUQKCFRXEZCT-FYZYNONXSA-N. The full InChI is InChI=1S/C21H26N2O2.C2H6/c1-4-19(16-7-5-14(2)6-8-16)20(24)22-13-18-11-17(15-9-10-15)12-23-21(18)25-3;1-2/h5-8,11-12,15,19H,4,9-10,13H2,1-3H3,(H,22,24);1-2H3/t19-;/m0./s1.
What are the key properties of (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane?
(2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane has a molecular weight of 368.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-cyclopropyl-2-methoxy-3-pyridinyl)methyl]-2-(4-methylphenyl)butanamide;ethane is sourced from PubChem (CID 143236897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).