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

C21H25NO2 — CID 169471837

IUPACbenzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
SMILESCCCCc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-3-8-18-12-14-19(15-13-18)11-7-16-22-21(23)24-17-20-9-5-4-6-10-20/h4-7,9-15H,2-3,8,16-17H2,1H3,(H,22,23)
InChIKeyGCLWOJDXNQGSDL-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.97
Rot. Bonds8

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

benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate (PubChem CID 169471837) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
PubChem CID169471837
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namebenzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate
SMILESCCCCc1ccc(C=CCNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-3-8-18-12-14-19(15-13-18)11-7-16-22-21(23)24-17-20-9-5-4-6-10-20/h4-7,9-15H,2-3,8,16-17H2,1H3,(H,22,23)
InChIKeyGCLWOJDXNQGSDL-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-(4-butylphenyl)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-heptoxyphenyl)prop-2-enyl]carbamate
CID 169472791
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-[4-(4-propylphenyl)but-3-enyl]carbamate
CID 170493851
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-[3-(4-isocyanatophenyl)prop-2-enyl]carbamate
CID 169471719
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]carbamate
CID 169472339
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate (CID 169471837) is benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate is CCCCc1ccc(C=CCNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate?
The InChIKey is GCLWOJDXNQGSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-3-8-18-12-14-19(15-13-18)11-7-16-22-21(23)24-17-20-9-5-4-6-10-20/h4-7,9-15H,2-3,8,16-17H2,1H3,(H,22,23).
What are the key properties of benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate has a molecular weight of 323.44 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-butylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).