benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate

C24H23NO3 — CID 169472783

IUPACbenzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
SMILESCOc1ccccc1-c1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-23-12-6-5-11-22(23)21-15-13-19(14-16-21)10-7-17-25-24(26)28-18-20-8-3-2-4-9-20/h2-16H,17-18H2,1H3,(H,25,26)
InChIKeyLCFYXCXPYMTAAP-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.30
Rot. Bonds7

About benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169472783) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
PubChem CID169472783
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Namebenzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
SMILESCOc1ccccc1-c1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO3/c1-27-23-12-6-5-11-22(23)21-15-13-19(14-16-21)10-7-17-25-24(26)28-18-20-8-3-2-4-9-20/h2-16H,17-18H2,1H3,(H,25,26)
InChIKeyLCFYXCXPYMTAAP-UHFFFAOYSA-N
XLogP5.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
CID 169471883
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
CID 169472836
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
(E)-3-[2-methoxy-5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]prop-2-enoic acid
CID 169472537
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
CID 169471837
benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
CID 169472339

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate (CID 169472783) is benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate is COc1ccccc1-c1ccc(C=CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is LCFYXCXPYMTAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-27-23-12-6-5-11-22(23)21-15-13-19(14-16-21)10-7-17-25-24(26)28-18-20-8-3-2-4-9-20/h2-16H,17-18H2,1H3,(H,25,26).
What are the key properties of benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).