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

C14H20N2O3 — CID 70898291

IUPACbenzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,12(17)15-3)16(4)13(18)19-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyHMTGLJDYQUBHKS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds4

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

benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 70898291) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
PubChem CID70898291
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
SMILESCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-14(2,12(17)15-3)16(4)13(18)19-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,17)
InChIKeyHMTGLJDYQUBHKS-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
CID 70611744
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
2-[methyl(phenylmethoxycarbonyl)amino]-2-pyridin-2-ylpropanoic acid
CID 103664078
[methyl(phenylmethoxycarbonyl)carbamoyl] acetate
CID 166811069
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
(2R)-2,3-ditert-butyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 22866084
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate (CID 70898291) is benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate is CNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is HMTGLJDYQUBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,12(17)15-3)16(4)13(18)19-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,17).
What are the key properties of benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate?
benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.78, 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-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 70898291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).