benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate

C13H18N2O3 — CID 75492678

IUPACbenzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)C(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(12(16)14-2)15(3)13(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyDXUPTQLZRHSQFE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.39
Rot. Bonds4

About benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate

benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 75492678) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID75492678
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namebenzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)C(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(12(16)14-2)15(3)13(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,16)
InChIKeyDXUPTQLZRHSQFE-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
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(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoic acid
CID 66973241
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
benzyl N,N-dimethylcarbamate
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(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
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2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
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CID 137443771

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate (CID 75492678) is benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate is CNC(=O)C(C)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is DXUPTQLZRHSQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(12(16)14-2)15(3)13(17)18-9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,14,16).
What are the key properties of benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 75492678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).