benzyl N-(2-anilino-2-oxoethyl)carbamate

C16H16N2O3 — CID 4295669

IUPACbenzyl N-(2-anilino-2-oxoethyl)carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-14-9-5-2-6-10-14)11-17-16(20)21-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,20)(H,18,19)
InChIKeyOPAVWMDKVMBVRI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.55
Rot. Bonds5

About benzyl N-(2-anilino-2-oxoethyl)carbamate

benzyl N-(2-anilino-2-oxoethyl)carbamate (PubChem CID 4295669) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is benzyl N-(2-anilino-2-oxoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-anilino-2-oxoethyl)carbamate
PubChem CID4295669
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namebenzyl N-(2-anilino-2-oxoethyl)carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2O3/c19-15(18-14-9-5-2-6-10-14)11-17-16(20)21-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,20)(H,18,19)
InChIKeyOPAVWMDKVMBVRI-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

aza-peptide Michael acceptor, 5l
CID 24825283
Carbamic acid, (2-methylphenyl)-, phenylmethyl ester
CID 895304
aza-peptide Michael acceptor, 5d
CID 24825277
aza-peptide Michael acceptor, 5h
CID 24825280
((R)-2-Phenyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-ethyl)-carbamic acid benzyl ester
CID 44382187
((R)-2-Methyl-1-{3-phenyl-1-[(4-piperidin-1-yl-phenylamino)-methyl]-propylcarbamoyl}-propyl)-carbamic acid benzyl ester
CID 44382238
N-(3,4-dimethylphenyl)-2-[(phenylmethoxy)carbonylamino]acetamide
CID 824286
benzyl N-[2-(4-fluoroanilino)-2-oxoethyl]carbamate
CID 24207949
Phenylmethyl N-((4-(((2-aminophenyl)amino)carbonyl)phenyl)methyl)carbamate
CID 5044
Benzyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3431168
(S)-benzyl 8-(hydroxyamino)-1,8-dioxo-1-(phenylamino)octan-2-ylcarbamate
CID 9931544
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-anilino-2-oxoethyl)carbamate?
The IUPAC name of benzyl N-(2-anilino-2-oxoethyl)carbamate (CID 4295669) is benzyl N-(2-anilino-2-oxoethyl)carbamate.
What is the SMILES notation for benzyl N-(2-anilino-2-oxoethyl)carbamate?
The canonical SMILES for benzyl N-(2-anilino-2-oxoethyl)carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1.
What is the InChIKey of benzyl N-(2-anilino-2-oxoethyl)carbamate?
The InChIKey is OPAVWMDKVMBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(18-14-9-5-2-6-10-14)11-17-16(20)21-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,20)(H,18,19).
What are the key properties of benzyl N-(2-anilino-2-oxoethyl)carbamate?
benzyl N-(2-anilino-2-oxoethyl)carbamate has a molecular weight of 284.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-anilino-2-oxoethyl)carbamate is sourced from PubChem (CID 4295669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).