(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate

C10H21NO4 — CID 137483951

IUPAC(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(CO)COC(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)11-10(13)15-9(5-12)6-14-8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZWNNZSHETDWTJW-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.91
Rot. Bonds6

About (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate

(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate (PubChem CID 137483951) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate
PubChem CID137483951
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC(CO)COC(C)C
InChIInChI=1S/C10H21NO4/c1-7(2)11-10(13)15-9(5-12)6-14-8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyZWNNZSHETDWTJW-UHFFFAOYSA-N
XLogP0.91
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate 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

pentadecan-6-yl N-propan-2-ylcarbamate
CID 87949902
ethyl N-propan-2-ylcarbamate;propan-2-yl N-propan-2-ylcarbamate
CID 167448544
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol
CID 122488512
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
3-hydroxy-4-propan-2-yloxybutanoic acid
CID 65416827
1,3-dihydroxypropan-2-yl N-(4,4-diethoxybutyl)carbamate
CID 140503778
3-propan-2-yloxy-2-tetradecoxypropan-1-ol
CID 126584674
[(2S)-2-amino-3-methylbutyl] N-propan-2-ylcarbamate
CID 58818558
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate?
The IUPAC name of (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate (CID 137483951) is (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC(CO)COC(C)C.
What is the InChIKey of (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate?
The InChIKey is ZWNNZSHETDWTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7(2)11-10(13)15-9(5-12)6-14-8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate?
(1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate has a molecular weight of 219.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-propan-2-yloxypropan-2-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 137483951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).