prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate

C19H24N2O3 — CID 102205788

IUPACprop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)CC#N
InChIInChI=1S/C19H24N2O3/c1-4-12-24-19(23)21(14-16-8-6-5-7-9-16)17(13-15(2)3)18(22)10-11-20/h4-9,15,17H,1,10,12-14H2,2-3H3/t17-/m0/s1
InChIKeySRWFZKSJDDVQDF-KRWDZBQOSA-N
MW328.41 g/mol
LogP3.71
Rot. Bonds9

About prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate

prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate (PubChem CID 102205788) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate
PubChem CID102205788
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameprop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate
SMILESC=CCOC(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)CC#N
InChIInChI=1S/C19H24N2O3/c1-4-12-24-19(23)21(14-16-8-6-5-7-9-16)17(13-15(2)3)18(22)10-11-20/h4-9,15,17H,1,10,12-14H2,2-3H3/t17-/m0/s1
InChIKeySRWFZKSJDDVQDF-KRWDZBQOSA-N
XLogP3.71
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate 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-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
methyl (2R)-2-[(2-cyanoacetyl)-[(4-fluorophenyl)methyl]amino]-4-methylpentanoate
CID 24807470
(2S)-2-[deuteriomethyl-[(2S)-4-methyl-2-[methyl(prop-2-enoxycarbonyl)amino]pentanoyl]amino]-3-phenylpropanoic acid
CID 165125157
methyl (2S)-2-[benzyl(dimethylphosphoryl)amino]-4-methylpentanoate
CID 57270587
2-[methyl(prop-2-enoxycarbonyl)amino]-3-phenylpropanoic acid
CID 22065908
methyl (2S)-2-[benzyl-(2-bromo-2-phenylacetyl)amino]-4-methylpentanoate
CID 122222125
benzyl N-[3-methyl-1-[methyl(prop-2-enoxy)phosphoryl]butyl]carbamate
CID 10020078
prop-2-enyl 2-(dibenzylamino)-3-phenylpropanoate
CID 86226011
methyl (2S,3S)-3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxy-5-methylhexanoate
CID 11089834
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290
(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide
CID 18666515

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate (CID 102205788) is prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate is C=CCOC(=O)N(Cc1ccccc1)[C@@H](CC(C)C)C(=O)CC#N.
What is the InChIKey of prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate?
The InChIKey is SRWFZKSJDDVQDF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-12-24-19(23)21(14-16-8-6-5-7-9-16)17(13-15(2)3)18(22)10-11-20/h4-9,15,17H,1,10,12-14H2,2-3H3/t17-/m0/s1.
What are the key properties of prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate?
prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-benzyl-N-[(3S)-1-cyano-5-methyl-2-oxohexan-3-yl]carbamate is sourced from PubChem (CID 102205788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).