(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate

C9H19NO3 — CID 54453185

IUPAC(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
SMILESCCCNC(=O)OCC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-10-8(12)13-7-9(2,3)6-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyWWJBNUONWPITSB-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.30
Rot. Bonds6

About (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate

(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate (PubChem CID 54453185) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate.

Molecular Properties

Compound Name(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
PubChem CID54453185
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate
SMILESCCCNC(=O)OCC(C)(C)CO
InChIInChI=1S/C9H19NO3/c1-4-5-10-8(12)13-7-9(2,3)6-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyWWJBNUONWPITSB-UHFFFAOYSA-N
XLogP1.30
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl N-(4-hydroxybutyl)carbamate
CID 545141
tert-butyl N-(3-hydroxypropyl)carbamate
CID 3838134
2-(Hydroxymethyl)-2-methylpentyl hydrogen (2-methylpropyl)carbonimidate
CID 117181
2-(Hydroxymethyl)-2-methylpentyl hydrogen propylcarbonimidate
CID 117245
2-(Hydroxymethyl)-2-methylpentyl hydrogen ethylcarbonimidate
CID 213076
(S)-tert-Butyl (3-hydroxy-2-methylpropyl)carbamate
CID 10976271
1,3-Propanediol, 2-methyl-2-propyl-, butylcarbamate
CID 90977
2-(Hydroxymethyl)-2-methylpentyl hydrogen butan-2-ylcarbonimidate
CID 212901
2-(Hydroxymethyl)-2-methylpentyl hydrogen pentylcarbonimidate
CID 212902
tert-butyl N-((2R)-3-hydroxy-2-methylpropyl)carbamate
CID 10655267
tert-butyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 21263232
tert-butyl N-(3-hydroxybutyl)carbamate
CID 22499834

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate?
The IUPAC name of (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate (CID 54453185) is (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate.
What is the SMILES notation for (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate?
The canonical SMILES for (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate is CCCNC(=O)OCC(C)(C)CO.
What is the InChIKey of (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate?
The InChIKey is WWJBNUONWPITSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-5-10-8(12)13-7-9(2,3)6-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate?
(3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate has a molecular weight of 189.25 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,2-dimethylpropyl) N-propylcarbamate is sourced from PubChem (CID 54453185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).