N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide

C17H23NO4 — CID 42778185

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
SMILESCCCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCCO1
InChIInChI=1S/C17H23NO4/c1-2-3-8-18(17(19)15-5-4-9-20-15)11-13-6-7-14-16(10-13)22-12-21-14/h6-7,10,15H,2-5,8-9,11-12H2,1H3
InChIKeyUODCLARYCSBDJK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.72
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide (PubChem CID 42778185) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
PubChem CID42778185
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
SMILESCCCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCCO1
InChIInChI=1S/C17H23NO4/c1-2-3-8-18(17(19)15-5-4-9-20-15)11-13-6-7-14-16(10-13)22-12-21-14/h6-7,10,15H,2-5,8-9,11-12H2,1H3
InChIKeyUODCLARYCSBDJK-UHFFFAOYSA-N
XLogP2.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48849991
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxolane-2-carboxamide
CID 42460475
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-(oxolan-2-ylmethyl)benzamide
CID 4178537
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]tetradecanamide
CID 98397520
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94821314
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)tetradecanamide
CID 42773426
4-(1,3-benzodioxol-5-yl)-N,N-dibutylbenzamide
CID 90681751
N-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylacetamide
CID 86976342

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide (CID 42778185) is N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide is CCCCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCCO1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide?
The InChIKey is UODCLARYCSBDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-3-8-18(17(19)15-5-4-9-20-15)11-13-6-7-14-16(10-13)22-12-21-14/h6-7,10,15H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide has a molecular weight of 305.37 g/mol, XLogP of 2.72, 6 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-butyloxolane-2-carboxamide is sourced from PubChem (CID 42778185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).