2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate

C10H21NO4 — CID 106288865

IUPAC2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
SMILESCCC(CC)C(O)CNC(=O)OCCO
InChIInChI=1S/C10H21NO4/c1-3-8(4-2)9(13)7-11-10(14)15-6-5-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyQDFVUKPZFCOMAN-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.50
Rot. Bonds7

About 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate

2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate (PubChem CID 106288865) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
PubChem CID106288865
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
SMILESCCC(CC)C(O)CNC(=O)OCCO
InChIInChI=1S/C10H21NO4/c1-3-8(4-2)9(13)7-11-10(14)15-6-5-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyQDFVUKPZFCOMAN-UHFFFAOYSA-N
XLogP0.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)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

2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
2-hydroxyethyl N-propylcarbamate
CID 15560805
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-3-methylpentanamide
CID 103833109
propyl N-[2-(2-hydroxyethoxy)propyl]carbamate
CID 54036136
ethyl N-(2-hydroxy-3-methylbutyl)carbamate
CID 112702713
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
1-(3-ethyl-2-hydroxypentyl)-3-propylurea
CID 103657880
ethyl N-ethylcarbamate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 163439656
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate (CID 106288865) is 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate is CCC(CC)C(O)CNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate?
The InChIKey is QDFVUKPZFCOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-8(4-2)9(13)7-11-10(14)15-6-5-12/h8-9,12-13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate?
2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate is sourced from PubChem (CID 106288865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).