2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate

C11H23NO3 — CID 102908393

IUPAC2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
SMILESCC(C)C(CNC(=O)OCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)10(9(3)4)7-12-11(14)15-6-5-13/h8-10,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyLCCAFXRCNNTUMR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.63
Rot. Bonds6

About 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate

2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate (PubChem CID 102908393) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
PubChem CID102908393
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
SMILESCC(C)C(CNC(=O)OCCO)C(C)C
InChIInChI=1S/C11H23NO3/c1-8(2)10(9(3)4)7-12-11(14)15-6-5-13/h8-10,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyLCCAFXRCNNTUMR-UHFFFAOYSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)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-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
2-hydroxyethyl N-(3-ethyl-2-hydroxypentyl)carbamate
CID 106288865
propyl N-[2-(2-hydroxyethoxy)propyl]carbamate
CID 54036136
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2-hydroxyethyl N-propylcarbamate
CID 15560805
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
propyl N-(2-methylpropyl)carbamate
CID 91192078
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
CID 79349609
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
CID 106248555
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-hydroxyethyl N-heptylcarbamate
CID 124705283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate (CID 102908393) is 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate is CC(C)C(CNC(=O)OCCO)C(C)C.
What is the InChIKey of 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
The InChIKey is LCCAFXRCNNTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(2)10(9(3)4)7-12-11(14)15-6-5-13/h8-10,13H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate?
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate has a molecular weight of 217.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate is sourced from PubChem (CID 102908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).