2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide

C13H25NO2 — CID 109468073

IUPAC2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
SMILESCC1(C)CCCC(CC(=O)NCCCO)C1
InChIInChI=1S/C13H25NO2/c1-13(2)6-3-5-11(10-13)9-12(16)14-7-4-8-15/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyRDNQAMHGVSPISS-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds5

About 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide

2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 109468073) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
PubChem CID109468073
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
SMILESCC1(C)CCCC(CC(=O)NCCCO)C1
InChIInChI=1S/C13H25NO2/c1-13(2)6-3-5-11(10-13)9-12(16)14-7-4-8-15/h11,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyRDNQAMHGVSPISS-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 103799929
(3,3-dimethylcyclohexyl)methanol
CID 14034040
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
CID 57219007
2-(3,3-dimethylcyclohexyl)-N-pyrazin-2-ylacetamide
CID 136531795
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
2-cyclohexyl-N-octylacetamide
CID 3547359
N-(2-hydroxyethyl)-2-piperidin-3-ylacetamide
CID 22929447
N-(3-aminopropyl)-2-(3,3,5-trimethylcyclohexyl)acetamide;hydrochloride
CID 119408980
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide (CID 109468073) is 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide is CC1(C)CCCC(CC(=O)NCCCO)C1.
What is the InChIKey of 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is RDNQAMHGVSPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)6-3-5-11(10-13)9-12(16)14-7-4-8-15/h11,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide?
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 109468073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).