benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate

C19H18N2O2 — CID 169471649

IUPACbenzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C#N)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H18N2O2/c1-15-9-10-18(13-20)17(12-15)8-5-11-21-19(22)23-14-16-6-3-2-4-7-16/h2-10,12H,11,14H2,1H3,(H,21,22)
InChIKeyVJBJNYQUNOVYKI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.81
Rot. Bonds5

About benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169471649) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
PubChem CID169471649
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namebenzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C#N)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H18N2O2/c1-15-9-10-18(13-20)17(12-15)8-5-11-21-19(22)23-14-16-6-3-2-4-7-16/h2-10,12H,11,14H2,1H3,(H,21,22)
InChIKeyVJBJNYQUNOVYKI-UHFFFAOYSA-N
XLogP3.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[3-(3-cyano-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169471696
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-(3-methyl-2-nitrophenyl)prop-2-enyl]carbamate
CID 169472063
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[4-(2-cyano-5-methylphenyl)but-3-ynyl]carbamate
CID 170462581
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate (CID 169471649) is benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate is Cc1ccc(C#N)c(C=CCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is VJBJNYQUNOVYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-15-9-10-18(13-20)17(12-15)8-5-11-21-19(22)23-14-16-6-3-2-4-7-16/h2-10,12H,11,14H2,1H3,(H,21,22).
What are the key properties of benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-cyano-5-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).