(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'}

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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).