benzyl N-(2-amino-2-phenylethyl)carbamate

C16H18N2O2 — CID 19016786

IUPACbenzyl N-(2-amino-2-phenylethyl)carbamate
SMILESNC(CNC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)
InChIKeyPRGWXRXVMOOPKN-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds5

About benzyl N-(2-amino-2-phenylethyl)carbamate

benzyl N-(2-amino-2-phenylethyl)carbamate (PubChem CID 19016786) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is benzyl N-(2-amino-2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-2-phenylethyl)carbamate
PubChem CID19016786
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namebenzyl N-(2-amino-2-phenylethyl)carbamate
SMILESNC(CNC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19)
InChIKeyPRGWXRXVMOOPKN-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
benzyl N-(3-acetyl-4-oxo-2-phenylpentyl)carbamate
CID 102285138
(2S)-2-fluoro-3-(phenylmethoxycarbonylamino)propanoic acid
CID 14683731
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577
benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
CID 18470878
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-2-phenylethyl)carbamate?
The IUPAC name of benzyl N-(2-amino-2-phenylethyl)carbamate (CID 19016786) is benzyl N-(2-amino-2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-(2-amino-2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-(2-amino-2-phenylethyl)carbamate is NC(CNC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-(2-amino-2-phenylethyl)carbamate?
The InChIKey is PRGWXRXVMOOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15(14-9-5-2-6-10-14)11-18-16(19)20-12-13-7-3-1-4-8-13/h1-10,15H,11-12,17H2,(H,18,19).
What are the key properties of benzyl N-(2-amino-2-phenylethyl)carbamate?
benzyl N-(2-amino-2-phenylethyl)carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-2-phenylethyl)carbamate is sourced from PubChem (CID 19016786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).