benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate

C22H22N2O2 — CID 170456529

IUPACbenzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
SMILESNc1cccc(-c2ccccc2CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c23-20-11-6-10-19(15-20)21-12-5-4-9-18(21)13-14-24-22(25)26-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16,23H2,(H,24,25)
InChIKeyJCLQWEKWOXFONU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.40
Rot. Bonds6

About benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate

benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate (PubChem CID 170456529) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
PubChem CID170456529
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Namebenzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
SMILESNc1cccc(-c2ccccc2CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C22H22N2O2/c23-20-11-6-10-19(15-20)21-12-5-4-9-18(21)13-14-24-22(25)26-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16,23H2,(H,24,25)
InChIKeyJCLQWEKWOXFONU-UHFFFAOYSA-N
XLogP4.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.40
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-amino-5-(3-aminophenyl)phenyl]carbamate
CID 68788391
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
CID 68718683
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
benzyl N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]carbamate
CID 56697981
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
ethyl 3-[2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]phenyl]propanoate
CID 10715833
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate (CID 170456529) is benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate is Nc1cccc(-c2ccccc2CCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate?
The InChIKey is JCLQWEKWOXFONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c23-20-11-6-10-19(15-20)21-12-5-4-9-18(21)13-14-24-22(25)26-16-17-7-2-1-3-8-17/h1-12,15H,13-14,16,23H2,(H,24,25).
What are the key properties of benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate?
benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 170456529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).