3-cyclopentyl-N-(2-methylpropoxy)propanamide

C12H23NO2 — CID 115409709

IUPAC3-cyclopentyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-15-13-12(14)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyXPHUSYWXJSBHOJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.66
Rot. Bonds6

About 3-cyclopentyl-N-(2-methylpropoxy)propanamide

3-cyclopentyl-N-(2-methylpropoxy)propanamide (PubChem CID 115409709) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methylpropoxy)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methylpropoxy)propanamide
PubChem CID115409709
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-cyclopentyl-N-(2-methylpropoxy)propanamide
SMILESCC(C)CONC(=O)CCC1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-15-13-12(14)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,13,14)
InChIKeyXPHUSYWXJSBHOJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-3-piperidin-4-ylpropanamide
CID 82722183
3-cyclopentyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82723159
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(2-methylpropoxy)butanamide
CID 87986570
methyl 2-(3-cyclopentylpropanoylamino)-4-methylpentanoate
CID 531445
N-(2-methylpropoxy)-2-piperidin-3-ylacetamide
CID 82722311
4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
4-amino-4-methyl-N-(2-methylpropoxy)pentanamide
CID 82723032
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
methyl 5-cyclohexyl-2-methyl-3-oxopentanoate
CID 139977687

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methylpropoxy)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-methylpropoxy)propanamide (CID 115409709) is 3-cyclopentyl-N-(2-methylpropoxy)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-methylpropoxy)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-methylpropoxy)propanamide is CC(C)CONC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-methylpropoxy)propanamide?
The InChIKey is XPHUSYWXJSBHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)9-15-13-12(14)8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 3-cyclopentyl-N-(2-methylpropoxy)propanamide?
3-cyclopentyl-N-(2-methylpropoxy)propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methylpropoxy)propanamide is sourced from PubChem (CID 115409709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).