benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate

C18H20N2O2 — CID 169471314

IUPACbenzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(N)cc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-9-10-17(19)12-16(14)8-5-11-20-18(21)22-13-15-6-3-2-4-7-15/h2-10,12H,11,13,19H2,1H3,(H,20,21)
InChIKeyWKXWGPGPZMDZPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.52
Rot. Bonds5

About benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169471314) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
PubChem CID169471314
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namebenzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(N)cc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14-9-10-17(19)12-16(14)8-5-11-20-18(21)22-13-15-6-3-2-4-7-15/h2-10,12H,11,13,19H2,1H3,(H,20,21)
InChIKeyWKXWGPGPZMDZPE-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(2-amino-5-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169471246
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
CID 169471792
benzyl N-[3-(4-amino-3-chloro-5-methylphenyl)prop-2-enyl]carbamate
CID 169471613
benzyl N-[4-(5-amino-2-chlorophenyl)but-3-enyl]carbamate
CID 170493708
benzyl N-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enyl]carbamate
CID 169472972
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
CID 169471644
benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[3-(2-amino-4-chlorophenyl)prop-2-enyl]carbamate
CID 169471287

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate (CID 169471314) is benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate is Cc1ccc(N)cc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is WKXWGPGPZMDZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-9-10-17(19)12-16(14)8-5-11-20-18(21)22-13-15-6-3-2-4-7-15/h2-10,12H,11,13,19H2,1H3,(H,20,21).
What are the key properties of benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).