Carbamic acid, N-propyl-, ethyl ester

C6H13NO2 — CID 12199

IUPACethyl N-propylcarbamate
SMILESCCCNC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyGTOKAWYXANYGFG-UHFFFAOYSA-N
MW131.17 g/mol
LogP1.20
Rot. Bonds4

About Carbamic acid, N-propyl-, ethyl ester

Carbamic acid, N-propyl-, ethyl ester (PubChem CID 12199) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is ethyl N-propylcarbamate.

Molecular Properties

Compound NameCarbamic acid, N-propyl-, ethyl ester
PubChem CID12199
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Nameethyl N-propylcarbamate
SMILESCCCNC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyGTOKAWYXANYGFG-UHFFFAOYSA-N
XLogP1.20
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity83

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze Carbamic acid, N-propyl-, ethyl ester 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

Propamocarb
CID 32490
Propamocarb hydrochloride
CID 15575641
Carbamic acid, ethyl-, ethyl ester
CID 12195
Methyl ethylcarbamate
CID 448166
2-Propynyl butylcarbamate
CID 10877354
Propylene diurethane
CID 295941
Carbamic acid, N-butyl-, ethyl ester
CID 11577
Methyl N-butylcarbamate
CID 96524
Ethyl isopropylcarbamate
CID 17433
Tert-butyl N-ethylcarbamate
CID 11198486
1,3-Oxazinan-2-one
CID 641496
Isobutyl urethane
CID 10884

Frequently Asked Questions

What is the IUPAC name of Carbamic acid, N-propyl-, ethyl ester?
The IUPAC name of Carbamic acid, N-propyl-, ethyl ester (CID 12199) is ethyl N-propylcarbamate.
What is the SMILES notation for Carbamic acid, N-propyl-, ethyl ester?
The canonical SMILES for Carbamic acid, N-propyl-, ethyl ester is CCCNC(=O)OCC.
What is the InChIKey of Carbamic acid, N-propyl-, ethyl ester?
The InChIKey is GTOKAWYXANYGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5-7-6(8)9-4-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of Carbamic acid, N-propyl-, ethyl ester?
Carbamic acid, N-propyl-, ethyl ester has a molecular weight of 131.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Carbamic acid, N-propyl-, ethyl ester is sourced from PubChem (CID 12199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).