N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide

C17H19NO4 — CID 24715098

IUPACN-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(Cc1cccc2c1OCO2)C(=O)c1ccco1
InChIInChI=1S/C17H19NO4/c1-12(2)9-18(17(19)15-7-4-8-20-15)10-13-5-3-6-14-16(13)22-11-21-14/h3-8,12H,9-11H2,1-2H3
InChIKeyIEEXAQZQKAVXSP-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.31
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 24715098) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID24715098
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide
SMILESCC(C)CN(Cc1cccc2c1OCO2)C(=O)c1ccco1
InChIInChI=1S/C17H19NO4/c1-12(2)9-18(17(19)15-7-4-8-20-15)10-13-5-3-6-14-16(13)22-11-21-14/h3-8,12H,9-11H2,1-2H3
InChIKeyIEEXAQZQKAVXSP-UHFFFAOYSA-N
XLogP3.31
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 62734384
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 60779427
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
[4-chloro-2-[[furan-2-carbonyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
CID 42812115
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2-(methylamino)propanamide
CID 62638983
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-[(1R)-1-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-2-(2-chlorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 42423387
N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24718455

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide (CID 24715098) is N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide is CC(C)CN(Cc1cccc2c1OCO2)C(=O)c1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is IEEXAQZQKAVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12(2)9-18(17(19)15-7-4-8-20-15)10-13-5-3-6-14-16(13)22-11-21-14/h3-8,12H,9-11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 24715098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).