benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate

C20H23NO3 — CID 169471931

IUPACbenzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C)c(C=CCNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-15-12-18(23-3)13-16(2)19(15)10-7-11-21-20(22)24-14-17-8-5-4-6-9-17/h4-10,12-13H,11,14H2,1-3H3,(H,21,22)
InChIKeyBFNZZHFCAFVZKJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.25
Rot. Bonds6

About benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate (PubChem CID 169471931) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
PubChem CID169471931
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C)c(C=CCNC(=O)OCc2ccccc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-15-12-18(23-3)13-16(2)19(15)10-7-11-21-20(22)24-14-17-8-5-4-6-9-17/h4-10,12-13H,11,14H2,1-3H3,(H,21,22)
InChIKeyBFNZZHFCAFVZKJ-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate
CID 169471121
4-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472199
5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472200
tert-butyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169467818
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
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-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enyl]carbamate
CID 169472805
benzyl N-[4-(4-chloro-2,6-dimethylphenyl)but-3-enyl]carbamate
CID 170493848
benzyl N-[4-(4-bromo-2,6-dimethylphenyl)but-3-enyl]carbamate
CID 170495136
benzyl N-[3-(4-amino-3-chloro-5-methylphenyl)prop-2-enyl]carbamate
CID 169471613
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-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate (CID 169471931) is benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate is COc1cc(C)c(C=CCNC(=O)OCc2ccccc2)c(C)c1.
What is the InChIKey of benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
The InChIKey is BFNZZHFCAFVZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-12-18(23-3)13-16(2)19(15)10-7-11-21-20(22)24-14-17-8-5-4-6-9-17/h4-10,12-13H,11,14H2,1-3H3,(H,21,22).
What are the key properties of benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).