N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide

C16H19NO3 — CID 42723770

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C16H19NO3/c18-16(12-2-1-3-12)17(13-5-6-13)9-11-4-7-14-15(8-11)20-10-19-14/h4,7-8,12-13H,1-3,5-6,9-10H2
InChIKeyRJOZXGHCNGFRKC-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.71
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide (PubChem CID 42723770) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
PubChem CID42723770
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
SMILESO=C(C1CCC1)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C16H19NO3/c18-16(12-2-1-3-12)17(13-5-6-13)9-11-4-7-14-15(8-11)20-10-19-14/h4,7-8,12-13H,1-3,5-6,9-10H2
InChIKeyRJOZXGHCNGFRKC-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
CID 42723822
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43025076
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide (CID 42723770) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide?
The InChIKey is RJOZXGHCNGFRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-16(12-2-1-3-12)17(13-5-6-13)9-11-4-7-14-15(8-11)20-10-19-14/h4,7-8,12-13H,1-3,5-6,9-10H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide is sourced from PubChem (CID 42723770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).