N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide

C16H21NO3 — CID 42723822

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
SMILESCC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)C1CC1
InChIInChI=1S/C16H21NO3/c1-16(2,3)17(15(18)12-5-6-12)9-11-4-7-13-14(8-11)20-10-19-13/h4,7-8,12H,5-6,9-10H2,1-3H3
InChIKeyNCJHTLYRHYCJPZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.95
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide (PubChem CID 42723822) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
PubChem CID42723822
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
SMILESCC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)C1CC1
InChIInChI=1S/C16H21NO3/c1-16(2,3)17(15(18)12-5-6-12)9-11-4-7-13-14(8-11)20-10-19-13/h4,7-8,12H,5-6,9-10H2,1-3H3
InChIKeyNCJHTLYRHYCJPZ-UHFFFAOYSA-N
XLogP2.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
tert-butyl 4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 31339965
1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119690221
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62847623
2-(1,3-benzodioxol-5-yl)-1-cyclobutylethanone
CID 168896088
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-4-ylmethyl)oxane-4-carboxamide
CID 74234588

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide (CID 42723822) is N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide is CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide?
The InChIKey is NCJHTLYRHYCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)17(15(18)12-5-6-12)9-11-4-7-13-14(8-11)20-10-19-13/h4,7-8,12H,5-6,9-10H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.95, 3 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-tert-butylcyclopropanecarboxamide is sourced from PubChem (CID 42723822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).