N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide

C18H21NO4 — CID 42724557

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
SMILESCCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1
InChIInChI=1S/C18H21NO4/c1-2-3-6-18(20)19(12-15-5-4-9-21-15)11-14-7-8-16-17(10-14)23-13-22-16/h4-5,7-10H,2-3,6,11-13H2,1H3
InChIKeyOYNOZCYZTAZRKT-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.73
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide (PubChem CID 42724557) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
PubChem CID42724557
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
SMILESCCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1
InChIInChI=1S/C18H21NO4/c1-2-3-6-18(20)19(12-15-5-4-9-21-15)11-14-7-8-16-17(10-14)23-13-22-16/h4-5,7-10H,2-3,6,11-13H2,1H3
InChIKeyOYNOZCYZTAZRKT-UHFFFAOYSA-N
XLogP3.73
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)hexanamide
CID 3459730
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 78801443
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)tetradecanamide
CID 42773426
N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]hexanamide
CID 42773300
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 5038218
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5094911
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 42773400
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 42724577
N-(1,3-benzodioxol-5-ylmethyl)-2-[butylsulfonyl(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4585832
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide (CID 42724557) is N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide is CCCCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide?
The InChIKey is OYNOZCYZTAZRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-3-6-18(20)19(12-15-5-4-9-21-15)11-14-7-8-16-17(10-14)23-13-22-16/h4-5,7-10H,2-3,6,11-13H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide has a molecular weight of 315.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide is sourced from PubChem (CID 42724557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).