benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate

C17H17NO2 — CID 44603837

IUPACbenzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
SMILESC/C=C(\NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-16(15-11-7-4-8-12-15)18-17(19)20-13-14-9-5-3-6-10-14/h2-12H,13H2,1H3,(H,18,19)/b16-2-
InChIKeyDQYIHDMGCZSUPW-CFZMTHNTSA-N
MW267.33 g/mol
LogP3.97
Rot. Bonds4

About benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate

benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate (PubChem CID 44603837) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
PubChem CID44603837
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
SMILESC/C=C(\NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-2-16(15-11-7-4-8-12-15)18-17(19)20-13-14-9-5-3-6-10-14/h2-12H,13H2,1H3,(H,18,19)/b16-2-
InChIKeyDQYIHDMGCZSUPW-CFZMTHNTSA-N
XLogP3.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(Z)-3-oxo-1-phenylbut-1-enyl]carbamate
CID 71620202
ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate
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benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
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benzyl N-[(Z)-1-amino-1-oxobut-2-en-2-yl]carbamate
CID 15663847
benzyl N-(2-phenylprop-2-enoyl)carbamate
CID 139252880
(E)-5,5-dimethyl-2-(phenylmethoxycarbonylamino)hex-2-enoic acid
CID 22329418
benzyl N-benzamidocarbamate
CID 4935848
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate?
The IUPAC name of benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate (CID 44603837) is benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate.
What is the SMILES notation for benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate?
The canonical SMILES for benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate is C/C=C(\NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate?
The InChIKey is DQYIHDMGCZSUPW-CFZMTHNTSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-16(15-11-7-4-8-12-15)18-17(19)20-13-14-9-5-3-6-10-14/h2-12H,13H2,1H3,(H,18,19)/b16-2-.
What are the key properties of benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate?
benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate has a molecular weight of 267.33 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate is sourced from PubChem (CID 44603837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).