3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide

C16H21NO3 — CID 114549652

IUPAC3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H21NO3/c1-11-2-5-13(8-11)17-16(18)7-4-12-3-6-14-15(9-12)20-10-19-14/h3,6,9,11,13H,2,4-5,7-8,10H2,1H3,(H,17,18)
InChIKeyDURNXPZFEZRQDL-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.65
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide (PubChem CID 114549652) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
PubChem CID114549652
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C16H21NO3/c1-11-2-5-13(8-11)17-16(18)7-4-12-3-6-14-15(9-12)20-10-19-14/h3,6,9,11,13H,2,4-5,7-8,10H2,1H3,(H,17,18)
InChIKeyDURNXPZFEZRQDL-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclopentyl]propanamide
CID 56893110
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 43051485
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
3-(1,3-benzodioxol-5-yl)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 95196204
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-methylcyclopentan-1-amine
CID 115714684
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 42030306
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-(4-butylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114549772

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide (CID 114549652) is 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide is CC1CCC(NC(=O)CCc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide?
The InChIKey is DURNXPZFEZRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-2-5-13(8-11)17-16(18)7-4-12-3-6-14-15(9-12)20-10-19-14/h3,6,9,11,13H,2,4-5,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 114549652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).