2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate

C10H21NO4 — CID 79349609

IUPAC2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
SMILESCC(C)CC(C)(O)CNC(=O)OCCO
InChIInChI=1S/C10H21NO4/c1-8(2)6-10(3,14)7-11-9(13)15-5-4-12/h8,12,14H,4-7H2,1-3H3,(H,11,13)
InChIKeyHAWOOEVOMODNSF-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.50
Rot. Bonds6

About 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate

2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate (PubChem CID 79349609) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
PubChem CID79349609
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate
SMILESCC(C)CC(C)(O)CNC(=O)OCCO
InChIInChI=1S/C10H21NO4/c1-8(2)6-10(3,14)7-11-9(13)15-5-4-12/h8,12,14H,4-7H2,1-3H3,(H,11,13)
InChIKeyHAWOOEVOMODNSF-UHFFFAOYSA-N
XLogP0.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-hydroxyethyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 106248558
N-(2-hydroxy-2,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 66180259
N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 66180454
1-amino-N-(2-hydroxy-2,4-dimethylpentyl)cyclopropane-1-carboxamide
CID 66172259
(2R)-2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-4-methylpentanamide
CID 104903660
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
3-ethoxy-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66179484
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
N-(2-hydroxy-2,4-dimethylpentyl)but-2-enamide
CID 77114238
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate (CID 79349609) is 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate is CC(C)CC(C)(O)CNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate?
The InChIKey is HAWOOEVOMODNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)6-10(3,14)7-11-9(13)15-5-4-12/h8,12,14H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate?
2-hydroxyethyl N-(2-hydroxy-2,4-dimethylpentyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.50, 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-2,4-dimethylpentyl)carbamate is sourced from PubChem (CID 79349609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).