benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate

C22H24N2O4 — CID 15829080

IUPACbenzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate
SMILESCC(/C=C/CN(CC=O)C(=O)OCc1ccccc1)=N\OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-19(23-28-18-21-12-6-3-7-13-21)9-8-14-24(15-16-25)22(26)27-17-20-10-4-2-5-11-20/h2-13,16H,14-15,17-18H2,1H3/b9-8+,23-19+
InChIKeyLTWLYGBYHMQWKO-GLVIYYDGSA-N
MW380.44 g/mol
LogP3.97
Rot. Bonds10

About benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate

benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate (PubChem CID 15829080) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate
PubChem CID15829080
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namebenzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate
SMILESCC(/C=C/CN(CC=O)C(=O)OCc1ccccc1)=N\OCc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-19(23-28-18-21-12-6-3-7-13-21)9-8-14-24(15-16-25)22(26)27-17-20-10-4-2-5-11-20/h2-13,16H,14-15,17-18H2,1H3/b9-8+,23-19+
InChIKeyLTWLYGBYHMQWKO-GLVIYYDGSA-N
XLogP3.97
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
(2R)-2-[2-oxoethyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 22855125
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
benzyl N-acetyl-N-aminocarbamate
CID 67604274
benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224555
benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224565
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
methyl 2-[phenylmethoxycarbonyl-[(E)-3-phenylprop-2-enyl]amino]acetate
CID 11645787
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-(1-formylcyclopropyl)-N-methylcarbamate
CID 129285103
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate?
The IUPAC name of benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate (CID 15829080) is benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate.
What is the SMILES notation for benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate?
The canonical SMILES for benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate is CC(/C=C/CN(CC=O)C(=O)OCc1ccccc1)=N\OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate?
The InChIKey is LTWLYGBYHMQWKO-GLVIYYDGSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-19(23-28-18-21-12-6-3-7-13-21)9-8-14-24(15-16-25)22(26)27-17-20-10-4-2-5-11-20/h2-13,16H,14-15,17-18H2,1H3/b9-8+,23-19+.
What are the key properties of benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate?
benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate has a molecular weight of 380.44 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxoethyl)-N-[(E,4E)-4-phenylmethoxyiminopent-2-enyl]carbamate is sourced from PubChem (CID 15829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).