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

C18H19NO3 — CID 169471209

IUPACbenzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-21-17-12-6-5-10-16(17)11-7-13-19-18(20)22-14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3,(H,19,20)
InChIKeyFNHJAXPOVFGVOZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.63
Rot. Bonds6

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

benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169471209) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169471209
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-21-17-12-6-5-10-16(17)11-7-13-19-18(20)22-14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3,(H,19,20)
InChIKeyFNHJAXPOVFGVOZ-UHFFFAOYSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169472900
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
(E)-3-[2-methoxy-5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]prop-2-enoic acid
CID 169472537
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
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
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472200
4-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472199

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate (CID 169471209) is benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate is COc1ccccc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is FNHJAXPOVFGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-17-12-6-5-10-16(17)11-7-13-19-18(20)22-14-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3,(H,19,20).
What are the key properties of benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).