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

C19H22N2O2 — CID 169471644

IUPACbenzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
SMILESNCCc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-13-12-18-10-5-4-9-17(18)11-6-14-21-19(22)23-15-16-7-2-1-3-8-16/h1-11H,12-15,20H2,(H,21,22)
InChIKeyZXJOQHJODPGERY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.13
Rot. Bonds7

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

benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169471644) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169471644
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namebenzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate
SMILESNCCc1ccccc1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O2/c20-13-12-18-10-5-4-9-17(18)11-6-14-21-19(22)23-15-16-7-2-1-3-8-16/h1-11H,12-15,20H2,(H,21,22)
InChIKeyZXJOQHJODPGERY-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204
benzyl N-(3-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[4-[2-(aminomethyl)phenyl]but-3-enyl]carbamate
CID 170493744
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
benzyl N-[4-[2-(3-hydroxypropyl)phenyl]but-3-enyl]carbamate
CID 170494351
2-[3-fluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]acetic acid
CID 169472126

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate (CID 169471644) is benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate is NCCc1ccccc1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is ZXJOQHJODPGERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-13-12-18-10-5-4-9-17(18)11-6-14-21-19(22)23-15-16-7-2-1-3-8-16/h1-11H,12-15,20H2,(H,21,22).
What are the key properties of benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[2-(2-aminoethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169471644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).