(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide

C19H22N2O2 — CID 95271736

IUPAC(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide
SMILESC=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-4-14-23-15(2)19(22)21-18(16-10-6-5-7-11-16)17-12-8-9-13-20-17/h3,5-13,15,18H,1,4,14H2,2H3,(H,21,22)/t15-,18-/m0/s1
InChIKeyBCDFKEBBRXERPK-YJBOKZPZSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds8

About (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide

(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 95271736) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID95271736
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide
SMILESC=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C19H22N2O2/c1-3-4-14-23-15(2)19(22)21-18(16-10-6-5-7-11-16)17-12-8-9-13-20-17/h3,5-13,15,18H,1,4,14H2,2H3,(H,21,22)/t15-,18-/m0/s1
InChIKeyBCDFKEBBRXERPK-YJBOKZPZSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]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

3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
1-[(2-methoxyphenyl)methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 46596546
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
(2S)-2-(2-but-3-enoxypropanoylamino)-3-methylbutanoic acid
CID 119360508

Frequently Asked Questions

What is the IUPAC name of (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide (CID 95271736) is (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide is C=CCCO[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is BCDFKEBBRXERPK-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-4-14-23-15(2)19(22)21-18(16-10-6-5-7-11-16)17-12-8-9-13-20-17/h3,5-13,15,18H,1,4,14H2,2H3,(H,21,22)/t15-,18-/m0/s1.
What are the key properties of (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide?
(2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 95271736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).