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

C19H21NO4 — CID 169471883

IUPACbenzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
SMILESCOc1cc(C=CCNC(=O)OCc2ccccc2)ccc1CO
InChIInChI=1S/C19H21NO4/c1-23-18-12-15(9-10-17(18)13-21)8-5-11-20-19(22)24-14-16-6-3-2-4-7-16/h2-10,12,21H,11,13-14H2,1H3,(H,20,22)
InChIKeyOKQUCKYHXWZRFA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.13
Rot. Bonds7

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

benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate (PubChem CID 169471883) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
PubChem CID169471883
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebenzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
SMILESCOc1cc(C=CCNC(=O)OCc2ccccc2)ccc1CO
InChIInChI=1S/C19H21NO4/c1-23-18-12-15(9-10-17(18)13-21)8-5-11-20-19(22)24-14-16-6-3-2-4-7-16/h2-10,12,21H,11,13-14H2,1H3,(H,20,22)
InChIKeyOKQUCKYHXWZRFA-UHFFFAOYSA-N
XLogP3.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
CID 169472836
benzyl N-[3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471444
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
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
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate (CID 169471883) is benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate is COc1cc(C=CCNC(=O)OCc2ccccc2)ccc1CO.
What is the InChIKey of benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate?
The InChIKey is OKQUCKYHXWZRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-18-12-15(9-10-17(18)13-21)8-5-11-20-19(22)24-14-16-6-3-2-4-7-16/h2-10,12,21H,11,13-14H2,1H3,(H,20,22).
What are the key properties of benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate?
benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).