benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate

C13H18N2O3 — CID 130159213

IUPACbenzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCCN(CC(=O)NC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-12(16)14-2)13(17)18-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyVJICEQRKNDDUJB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds5

About benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate

benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate (PubChem CID 130159213) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
PubChem CID130159213
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
SMILESCCN(CC(=O)NC)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-15(9-12(16)14-2)13(17)18-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16)
InChIKeyVJICEQRKNDDUJB-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-amino-2-sulfanylideneethyl)-N-ethylcarbamate
CID 14023637
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
benzyl N,N-dimethylcarbamate
CID 12963450
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
methyl 2-[3-[ethyl(phenylmethoxycarbonyl)amino]propanoylamino]-3-oxobutanoate
CID 121344890
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate (CID 130159213) is benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate is CCN(CC(=O)NC)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate?
The InChIKey is VJICEQRKNDDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-15(9-12(16)14-2)13(17)18-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,16).
What are the key properties of benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate?
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate is sourced from PubChem (CID 130159213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).