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

C18H17NO3 — CID 2862795

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC1c1ccccc1
InChIInChI=1S/C18H17NO3/c20-18(15-9-14(15)13-4-2-1-3-5-13)19-10-12-6-7-16-17(8-12)22-11-21-16/h1-8,14-15H,9-11H2,(H,19,20)
InChIKeyQAEXEQRCFCBJSZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.84
Rot. Bonds4

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

N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2862795) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2862795
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC1c1ccccc1
InChIInChI=1S/C18H17NO3/c20-18(15-9-14(15)13-4-2-1-3-5-13)19-10-12-6-7-16-17(8-12)22-11-21-16/h1-8,14-15H,9-11H2,(H,19,20)
InChIKeyQAEXEQRCFCBJSZ-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135882
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
(1S,6R)-6-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid
CID 7045611
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
1-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133652
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 111844166
1-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132923
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109136731
(1R,2R,3S,4R)-3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99720814
(1R,2S,3R,4S)-3-(1,3-benzodioxol-5-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11879256
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136698

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide (CID 2862795) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CC1c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QAEXEQRCFCBJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-18(15-9-14(15)13-4-2-1-3-5-13)19-10-12-6-7-16-17(8-12)22-11-21-16/h1-8,14-15H,9-11H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2862795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).