2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

C13H25NO3 — CID 111480165

IUPAC2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COCC1CC1
InChIInChI=1S/C13H25NO3/c1-10(15)6-13(2,3)9-14-12(16)8-17-7-11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWZJCYJRWKISZOE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide

2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 111480165) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID111480165
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCC(O)CC(C)(C)CNC(=O)COCC1CC1
InChIInChI=1S/C13H25NO3/c1-10(15)6-13(2,3)9-14-12(16)8-17-7-11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKeyWZJCYJRWKISZOE-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103761280
N-(2-hydroxy-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103771251
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 111447451
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111447911
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 111480418
N-(2-hydroxy-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 112298192
N-(2-hydroxy-4,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113237941
2-(cyclopropylmethoxy)-4,4-dimethyl-N-propan-2-ylpentanamide
CID 59164352
2-(cyclopropylmethoxy)-N-ethyl-4,4-dimethylpentanamide
CID 70910535
2-(cyclopropylmethoxy)-N-ethyl-4-methylpentanamide
CID 71091887
N-(2-cyclopropylethyl)-2-propan-2-yloxyacetamide
CID 112695639
(2S)-2-hydroxy-N-(2-methoxyethyl)-4-methylpentanamide
CID 118216554

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide (CID 111480165) is 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is CC(O)CC(C)(C)CNC(=O)COCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is WZJCYJRWKISZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(15)6-13(2,3)9-14-12(16)8-17-7-11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide?
2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 111480165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).