benzyl N-(2-phenylprop-2-enoyl)carbamate

C17H15NO3 — CID 139252880

IUPACbenzyl N-(2-phenylprop-2-enoyl)carbamate
SMILESC=C(C(=O)NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(15-10-6-3-7-11-15)16(19)18-17(20)21-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,18,19,20)
InChIKeyKMUVIRFBPXNNHH-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.15
Rot. Bonds4

About benzyl N-(2-phenylprop-2-enoyl)carbamate

benzyl N-(2-phenylprop-2-enoyl)carbamate (PubChem CID 139252880) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl N-(2-phenylprop-2-enoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylprop-2-enoyl)carbamate
PubChem CID139252880
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl N-(2-phenylprop-2-enoyl)carbamate
SMILESC=C(C(=O)NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(15-10-6-3-7-11-15)16(19)18-17(20)21-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,18,19,20)
InChIKeyKMUVIRFBPXNNHH-UHFFFAOYSA-N
XLogP3.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-[3-(methylamino)-3-oxoprop-1-en-2-yl]carbamate
CID 131853224
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837
benzyl N-(1-pyridin-3-ylethenyl)carbamate
CID 11851043
benzyl N-[2-(tert-butylamino)-2-oxoacetyl]carbamate
CID 102231478
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-benzamidocarbamate
CID 4935848
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
benzyl N-[(Z)-3-oxo-1-phenylbut-1-enyl]carbamate
CID 71620202
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-[N'-(2-aminoethyl)-N-phenylmethoxycarbonylcarbamimidoyl]carbamate
CID 70952409

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylprop-2-enoyl)carbamate?
The IUPAC name of benzyl N-(2-phenylprop-2-enoyl)carbamate (CID 139252880) is benzyl N-(2-phenylprop-2-enoyl)carbamate.
What is the SMILES notation for benzyl N-(2-phenylprop-2-enoyl)carbamate?
The canonical SMILES for benzyl N-(2-phenylprop-2-enoyl)carbamate is C=C(C(=O)NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-(2-phenylprop-2-enoyl)carbamate?
The InChIKey is KMUVIRFBPXNNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-13(15-10-6-3-7-11-15)16(19)18-17(20)21-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,18,19,20).
What are the key properties of benzyl N-(2-phenylprop-2-enoyl)carbamate?
benzyl N-(2-phenylprop-2-enoyl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylprop-2-enoyl)carbamate is sourced from PubChem (CID 139252880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).