prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

C16H22N2O3 — CID 155534232

IUPACprop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
SMILESC=CCOC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H,17,19)(H,18,20)
InChIKeySVVQHERZJFXFDQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.04
Rot. Bonds9

About prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate (PubChem CID 155534232) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
PubChem CID155534232
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameprop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
SMILESC=CCOC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H,17,19)(H,18,20)
InChIKeySVVQHERZJFXFDQ-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
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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Related Compounds

ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 72946782
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prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
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CID 22160443
N-(3-phenylpropyl)-3-(prop-2-enylamino)propanamide
CID 70408789
prop-2-enyl N-[3-bis(phenylmethoxy)phosphoryloxypropyl]carbamate
CID 156901166
methyl 8-oxo-8-(2-phenylethylamino)octanoate
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CID 174613430
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CID 45490396

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The IUPAC name of prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate (CID 155534232) is prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate is C=CCOC(=O)NCCCC(=O)NCCc1ccccc1.
What is the InChIKey of prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The InChIKey is SVVQHERZJFXFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-13-21-16(20)18-11-6-9-15(19)17-12-10-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H,17,19)(H,18,20).
What are the key properties of prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate is sourced from PubChem (CID 155534232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).