2-hydroxyethyl N-propylcarbamate

C6H13NO3 — CID 15560805

IUPAC2-hydroxyethyl N-propylcarbamate
SMILESCCCNC(=O)OCCO
InChIInChI=1S/C6H13NO3/c1-2-3-7-6(9)10-5-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyMMMVQHZWYQYOIX-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.11
Rot. Bonds4

About 2-hydroxyethyl N-propylcarbamate

2-hydroxyethyl N-propylcarbamate (PubChem CID 15560805) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-hydroxyethyl N-propylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-propylcarbamate
PubChem CID15560805
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-hydroxyethyl N-propylcarbamate
SMILESCCCNC(=O)OCCO
InChIInChI=1S/C6H13NO3/c1-2-3-7-6(9)10-5-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyMMMVQHZWYQYOIX-UHFFFAOYSA-N
XLogP0.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-propylcarbamate 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

2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
ethyl N-propylcarbamate
CID 12199
octadecyl N-propylcarbamate
CID 175015942
3-(propylamino)propyl N-propylcarbamate
CID 166733433
3,3-dimethylbutyl N-propylcarbamate
CID 153156945
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-hydroxyethyl N-pent-3-ynylcarbamate
CID 116645461
2-hydroxyethyl N-[4-(dimethylamino)butyl]carbamate
CID 79348724
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-propylcarbamate?
The IUPAC name of 2-hydroxyethyl N-propylcarbamate (CID 15560805) is 2-hydroxyethyl N-propylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-propylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-propylcarbamate is CCCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-propylcarbamate?
The InChIKey is MMMVQHZWYQYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-7-6(9)10-5-4-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of 2-hydroxyethyl N-propylcarbamate?
2-hydroxyethyl N-propylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-propylcarbamate is sourced from PubChem (CID 15560805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).