2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

C13H25NO2 — CID 103722198

IUPAC2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(O)CC(C)(C)C)C1CC1
InChIInChI=1S/C13H25NO2/c1-9(10-5-6-10)12(16)14-8-11(15)7-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyTVDXJXJJTQFIIC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.95
Rot. Bonds5

About 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (PubChem CID 103722198) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
PubChem CID103722198
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C(=O)NCC(O)CC(C)(C)C)C1CC1
InChIInChI=1S/C13H25NO2/c1-9(10-5-6-10)12(16)14-8-11(15)7-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16)
InChIKeyTVDXJXJJTQFIIC-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
CID 120793986
3-(2-cyclopropylpropanoylamino)-2-hydroxypropanamide
CID 106164214
N-(2-amino-3-hydroxybutyl)-2-cyclopropylpropanamide
CID 83148940
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
N-(4-bromo-2-methylbutyl)-2-cyclopropylpropanamide
CID 83151244
cis-(1S,3R)-3-[(2-hydroxy-4,4-dimethylpentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093202
2-cyclopropyl-N-(3-hydroxypropyl)propanamide
CID 81449535
N-(2-amino-2-oxoethyl)-2-cyclopropylpropanamide
CID 79505889
(2R)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide
CID 103850233
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
2-cyclopropyl-N-(2-methylprop-2-enyl)propanamide
CID 114619048

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The IUPAC name of 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (CID 103722198) is 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The canonical SMILES for 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is CC(C(=O)NCC(O)CC(C)(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The InChIKey is TVDXJXJJTQFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(10-5-6-10)12(16)14-8-11(15)7-13(2,3)4/h9-11,15H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 103722198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).