N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide

C20H27NO3 — CID 110371304

IUPACN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCC(c1ccc2c(c1)OCCO2)C1CC1)C1CCCC1
InChIInChI=1S/C20H27NO3/c22-20(15-3-1-2-4-15)21-10-9-17(14-5-6-14)16-7-8-18-19(13-16)24-12-11-23-18/h7-8,13-15,17H,1-6,9-12H2,(H,21,22)
InChIKeyINKHSKQFCXAENL-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.65
Rot. Bonds6

About N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide

N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide (PubChem CID 110371304) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
PubChem CID110371304
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide
SMILESO=C(NCCC(c1ccc2c(c1)OCCO2)C1CC1)C1CCCC1
InChIInChI=1S/C20H27NO3/c22-20(15-3-1-2-4-15)21-10-9-17(14-5-6-14)16-7-8-18-19(13-16)24-12-11-23-18/h7-8,13-15,17H,1-6,9-12H2,(H,21,22)
InChIKeyINKHSKQFCXAENL-UHFFFAOYSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2,6-dimethoxybenzamide
CID 110371316
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 110297488
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-phenylmethanesulfonamide
CID 110371346
N-[2-(cyclohexanecarbonylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 55805782
N-[(4-chlorophenyl)methyl]-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297500
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide
CID 55806478
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305047
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 55923131
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
2-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-ylethanone
CID 110406997
N-(3-acetamidophenyl)-3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110297543
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide (CID 110371304) is N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide is O=C(NCCC(c1ccc2c(c1)OCCO2)C1CC1)C1CCCC1.
What is the InChIKey of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide?
The InChIKey is INKHSKQFCXAENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-20(15-3-1-2-4-15)21-10-9-17(14-5-6-14)16-7-8-18-19(13-16)24-12-11-23-18/h7-8,13-15,17H,1-6,9-12H2,(H,21,22).
What are the key properties of N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide?
N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 110371304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).