ethyl N-[acetyl(methyl)amino]carbamate

C6H12N2O3 — CID 175377387

IUPACethyl N-[acetyl(methyl)amino]carbamate
SMILESCCOC(=O)NN(C)C(C)=O
InChIInChI=1S/C6H12N2O3/c1-4-11-6(10)7-8(3)5(2)9/h4H2,1-3H3,(H,7,10)
InChIKeyAGSBESJPIZTPKB-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.13
Rot. Bonds1

About ethyl N-[acetyl(methyl)amino]carbamate

ethyl N-[acetyl(methyl)amino]carbamate (PubChem CID 175377387) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl N-[acetyl(methyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[acetyl(methyl)amino]carbamate
PubChem CID175377387
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Nameethyl N-[acetyl(methyl)amino]carbamate
SMILESCCOC(=O)NN(C)C(C)=O
InChIInChI=1S/C6H12N2O3/c1-4-11-6(10)7-8(3)5(2)9/h4H2,1-3H3,(H,7,10)
InChIKeyAGSBESJPIZTPKB-UHFFFAOYSA-N
XLogP0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-[acetyl(methyl)amino]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

ethyl N-(ethoxycarbonylamino)-N-(2-oxopropanoyl)carbamate
CID 87865362
ethyl N-(ethoxycarbonylamino)-N-[(2R)-3-oxobutan-2-yl]carbamate
CID 101184961
ethyl N-hydroxycarbamate
CID 11510
ethyl N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 60652344
ethyl N-(ethoxycarbonylamino)-N-(2-methyl-4-oxopentan-3-yl)carbamate
CID 135056008
ethyl N-[bis(prop-2-enyl)amino]carbamate;hydrochloride
CID 173337215
CID 88818502
CID 88818502
ethyl N-iodocarbamate
CID 21443578
ethyl 2,2-bis[ethoxycarbonyl-(ethoxycarbonylamino)amino]-3-oxobutanoate
CID 101466213
ethyl 2-oxo(213C)propanoate
CID 71309469
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl N-(dimethylaminomethylideneamino)carbamate
CID 54558834

Frequently Asked Questions

What is the IUPAC name of ethyl N-[acetyl(methyl)amino]carbamate?
The IUPAC name of ethyl N-[acetyl(methyl)amino]carbamate (CID 175377387) is ethyl N-[acetyl(methyl)amino]carbamate.
What is the SMILES notation for ethyl N-[acetyl(methyl)amino]carbamate?
The canonical SMILES for ethyl N-[acetyl(methyl)amino]carbamate is CCOC(=O)NN(C)C(C)=O.
What is the InChIKey of ethyl N-[acetyl(methyl)amino]carbamate?
The InChIKey is AGSBESJPIZTPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4-11-6(10)7-8(3)5(2)9/h4H2,1-3H3,(H,7,10).
What are the key properties of ethyl N-[acetyl(methyl)amino]carbamate?
ethyl N-[acetyl(methyl)amino]carbamate has a molecular weight of 160.17 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[acetyl(methyl)amino]carbamate is sourced from PubChem (CID 175377387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).