benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate

C19H21NO2 — CID 169471140

IUPACbenzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
SMILESCCc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-17-11-6-7-12-18(17)13-8-14-20-19(21)22-15-16-9-4-3-5-10-16/h3-13H,2,14-15H2,1H3,(H,20,21)
InChIKeyXPBVTTTUPVQEML-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.19
Rot. Bonds6

About benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate (PubChem CID 169471140) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
PubChem CID169471140
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
SMILESCCc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-17-11-6-7-12-18(17)13-8-14-20-19(21)22-15-16-9-4-3-5-10-16/h3-13H,2,14-15H2,1H3,(H,20,21)
InChIKeyXPBVTTTUPVQEML-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate (CID 169471140) is benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate is CCc1ccccc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate?
The InChIKey is XPBVTTTUPVQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-17-11-6-7-12-18(17)13-8-14-20-19(21)22-15-16-9-4-3-5-10-16/h3-13H,2,14-15H2,1H3,(H,20,21).
What are the key properties of benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).