2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate

C10H21NO3 — CID 79348697

IUPAC2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
SMILESCC(C)CCC(C)NC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-8(2)4-5-9(3)11-10(13)14-7-6-12/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyNGYCDQGMCIQKJC-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.53
Rot. Bonds6

About 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate

2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate (PubChem CID 79348697) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
PubChem CID79348697
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
SMILESCC(C)CCC(C)NC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-8(2)4-5-9(3)11-10(13)14-7-6-12/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyNGYCDQGMCIQKJC-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-(5-methylhexan-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

2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
CID 79348986
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
CID 81392829
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-hydroxyethyl 2,4-dimethylpentanoate
CID 118601483
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
3-methylbutyl 2,3-dihydroxypropanoate
CID 87068414

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate (CID 79348697) is 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate is CC(C)CCC(C)NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate?
The InChIKey is NGYCDQGMCIQKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(2)4-5-9(3)11-10(13)14-7-6-12/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate?
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate has a molecular weight of 203.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate is sourced from PubChem (CID 79348697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).