2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate

C9H19NO4 — CID 107159468

IUPAC2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
SMILESCC(C)CC(O)CNC(=O)OCCO
InChIInChI=1S/C9H19NO4/c1-7(2)5-8(12)6-10-9(13)14-4-3-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyIIRSPMWVKZTNRM-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.11
Rot. Bonds6

About 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate

2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate (PubChem CID 107159468) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
PubChem CID107159468
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
SMILESCC(C)CC(O)CNC(=O)OCCO
InChIInChI=1S/C9H19NO4/c1-7(2)5-8(12)6-10-9(13)14-4-3-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyIIRSPMWVKZTNRM-UHFFFAOYSA-N
XLogP0.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)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-(3-ethyl-2-hydroxypentyl)carbamate
CID 106288865
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
2-hydroxyethyl 2,4-dimethylpentanoate
CID 118601483
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
phenyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 113258696
propyl N-(2-methylpropyl)carbamate
CID 91192078
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
CID 106248555
propyl N-[2-(2-hydroxyethoxy)propyl]carbamate
CID 54036136
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methoxypropanamide
CID 106114112
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate (CID 107159468) is 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate is CC(C)CC(O)CNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate?
The InChIKey is IIRSPMWVKZTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-7(2)5-8(12)6-10-9(13)14-4-3-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate?
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate is sourced from PubChem (CID 107159468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).