3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide

C17H23NO4 — CID 91954466

IUPAC3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCC1(CO)CCCC1
InChIInChI=1S/C17H23NO4/c19-11-17(7-1-2-8-17)10-18-16(20)6-4-13-3-5-14-15(9-13)22-12-21-14/h3,5,9,19H,1-2,4,6-8,10-12H2,(H,18,20)
InChIKeyYZQVXGHIYLLWCS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.02
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide (PubChem CID 91954466) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
PubChem CID91954466
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCC1(CO)CCCC1
InChIInChI=1S/C17H23NO4/c19-11-17(7-1-2-8-17)10-18-16(20)6-4-13-3-5-14-15(9-13)22-12-21-14/h3,5,9,19H,1-2,4,6-8,10-12H2,(H,18,20)
InChIKeyYZQVXGHIYLLWCS-UHFFFAOYSA-N
XLogP2.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750923
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631435
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
(2S)-4-[3-(1,3-benzodioxol-5-yl)propanoylamino]-2-hydroxybutanoic acid
CID 107834218
3-(1,3-benzodioxol-5-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169219
methyl 3-(1,3-benzodioxol-5-yl)propanoate
CID 10081775
3-(1,3-benzodioxol-5-yl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62520472

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide (CID 91954466) is 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCC1(CO)CCCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The InChIKey is YZQVXGHIYLLWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-11-17(7-1-2-8-17)10-18-16(20)6-4-13-3-5-14-15(9-13)22-12-21-14/h3,5,9,19H,1-2,4,6-8,10-12H2,(H,18,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide has a molecular weight of 305.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 91954466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).