1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide

C24H24N2O4 — CID 59206689

IUPAC1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-n1c(C)ccc1C
InChIInChI=1S/C24H24N2O4/c1-15-4-5-16(2)26(15)19-13-18(7-9-20(19)28-3)25-23(27)24(10-11-24)17-6-8-21-22(12-17)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27)
InChIKeyNSDXHXHSRQAYGZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.50
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide (PubChem CID 59206689) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
PubChem CID59206689
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-n1c(C)ccc1C
InChIInChI=1S/C24H24N2O4/c1-15-4-5-16(2)26(15)19-13-18(7-9-20(19)28-3)25-23(27)24(10-11-24)17-6-8-21-22(12-17)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27)
InChIKeyNSDXHXHSRQAYGZ-UHFFFAOYSA-N
XLogP4.50
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide
CID 100782978
N-[3-[2-(aminomethyl)phenyl]-4-methoxyphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158070320
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
CID 59256231
CID 59256231
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 162131419
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111
1-(1,3-benzodioxol-5-yl)-N-[3-(2-methoxy-3-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206876
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide (CID 59206689) is 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-n1c(C)ccc1C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide?
The InChIKey is NSDXHXHSRQAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-15-4-5-16(2)26(15)19-13-18(7-9-20(19)28-3)25-23(27)24(10-11-24)17-6-8-21-22(12-17)30-14-29-21/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,27).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).