2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate

C12H23NO3 — CID 102867439

IUPAC2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-12(15)13(7-4-8-14)11-5-3-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyHWPRYDNGODZHNO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.02
Rot. Bonds6

About 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate

2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate (PubChem CID 102867439) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
PubChem CID102867439
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
SMILESCC(C)COC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-12(15)13(7-4-8-14)11-5-3-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyHWPRYDNGODZHNO-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2-aminoethyl)-N-cyclohexylcarbamate
CID 55242551
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358
N-cyclobutyl-N-(3-hydroxypropyl)-2-methoxyacetamide
CID 102866415
2-methylpropyl N-(2-methylpropyl)-N-piperidin-4-ylcarbamate
CID 15676966
6-amino-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylheptanamide
CID 102861762
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
CID 61233456
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The IUPAC name of 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate (CID 102867439) is 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate is CC(C)COC(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
The InChIKey is HWPRYDNGODZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)9-16-12(15)13(7-4-8-14)11-5-3-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate?
2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 102867439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).