2-cyclobutyl-N-(3-hydroxypropyl)acetamide

C9H17NO2 — CID 103799929

IUPAC2-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCCCO
InChIInChI=1S/C9H17NO2/c11-6-2-5-10-9(12)7-8-3-1-4-8/h8,11H,1-7H2,(H,10,12)
InChIKeyMMDPNBUQNYHDSQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.68
Rot. Bonds5

About 2-cyclobutyl-N-(3-hydroxypropyl)acetamide

2-cyclobutyl-N-(3-hydroxypropyl)acetamide (PubChem CID 103799929) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclobutyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(3-hydroxypropyl)acetamide
PubChem CID103799929
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-cyclobutyl-N-(3-hydroxypropyl)acetamide
SMILESO=C(CC1CCC1)NCCCO
InChIInChI=1S/C9H17NO2/c11-6-2-5-10-9(12)7-8-3-1-4-8/h8,11H,1-7H2,(H,10,12)
InChIKeyMMDPNBUQNYHDSQ-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.68
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

N-(3-bromopropyl)-2-cyclobutylacetamide
CID 103164386
2-(3,3-dimethylcyclohexyl)-N-(3-hydroxypropyl)acetamide
CID 109468073
N-(5-bromopentyl)-2-cyclobutylacetamide
CID 107322053
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(2-chloroethyl)-2-cyclobutylacetamide
CID 103164388
N-(4-cyanobutyl)-2-cyclobutylacetamide
CID 103707324
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cycloheptyl-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119432481
N-but-3-ynyl-2-cyclobutylacetamide
CID 103707500
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-cyclopropyl-N-pentylacetamide
CID 66755217

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(3-hydroxypropyl)acetamide (CID 103799929) is 2-cyclobutyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(3-hydroxypropyl)acetamide is O=C(CC1CCC1)NCCCO.
What is the InChIKey of 2-cyclobutyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is MMDPNBUQNYHDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-2-5-10-9(12)7-8-3-1-4-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of 2-cyclobutyl-N-(3-hydroxypropyl)acetamide?
2-cyclobutyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 103799929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).