N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide

C16H20N2O4 — CID 38766641

IUPACN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O4/c19-15(7-8-17-16(20)11-3-1-2-4-11)18-12-5-6-13-14(9-12)22-10-21-13/h5-6,9,11H,1-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyYVFOXPRQJLEABW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 38766641) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
PubChem CID38766641
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H20N2O4/c19-15(7-8-17-16(20)11-3-1-2-4-11)18-12-5-6-13-14(9-12)22-10-21-13/h5-6,9,11H,1-4,7-8,10H2,(H,17,20)(H,18,19)
InChIKeyYVFOXPRQJLEABW-UHFFFAOYSA-N
XLogP2.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 110370597
N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)propyl]cyclopentanecarboxamide
CID 39928678
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
N-(1,3-benzodioxol-5-yl)-3-(benzylcarbamoylamino)propanamide
CID 35046151
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
benzyl N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]carbamate
CID 110370640
N-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)acetamide
CID 9265362
N-[3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 38807282
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichloroanilino)propanamide
CID 109042278

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide (CID 38766641) is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is YVFOXPRQJLEABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(7-8-17-16(20)11-3-1-2-4-11)18-12-5-6-13-14(9-12)22-10-21-13/h5-6,9,11H,1-4,7-8,10H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide?
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 38766641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).