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

C9H18N2O3 — CID 115590943

IUPACmethyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)C(C)NC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-5-11(6-2)8(12)7(3)10-9(13)14-4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyFCJHZTHGQXDHQK-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds4

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

methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 115590943) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
PubChem CID115590943
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
SMILESCCN(CC)C(=O)C(C)NC(=O)OC
InChIInChI=1S/C9H18N2O3/c1-5-11(6-2)8(12)7(3)10-9(13)14-4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyFCJHZTHGQXDHQK-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[1-(diethylamino)-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

methyl N-[1-[ethyl(propyl)amino]-1-oxopropan-2-yl]carbamate
CID 123892539
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
(2R)-N,N-diethyl-2-[[(2R)-1-methoxypropan-2-yl]carbamoylamino]propanamide
CID 95346439
N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 112604570
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
CID 62856660
2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
ethyl 2-[2-acetamidopropanoyl(ethyl)amino]acetate
CID 54900981
2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 112696041
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate (CID 115590943) is methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate is CCN(CC)C(=O)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is FCJHZTHGQXDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-11(6-2)8(12)7(3)10-9(13)14-4/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate?
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 115590943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).