1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide

C24H21NO4 — CID 59206321

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H21NO4/c1-27-20-9-7-17(16-5-3-2-4-6-16)13-19(20)25-23(26)24(11-12-24)18-8-10-21-22(14-18)29-15-28-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyYDMJYTIFHOIPRY-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.76
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 59206321) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID59206321
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C24H21NO4/c1-27-20-9-7-17(16-5-3-2-4-6-16)13-19(20)25-23(26)24(11-12-24)18-8-10-21-22(14-18)29-15-28-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeyYDMJYTIFHOIPRY-UHFFFAOYSA-N
XLogP4.76
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[2-methyl-5-(4-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206827
CID 59256231
CID 59256231
1-(1,3-benzodioxol-5-yl)-N-[5-[4-(methylsulfamoyl)phenyl]-2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 160712743
CID 59206942
CID 59206942
1-(1,3-benzodioxol-5-yl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 113198918
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methylphenyl]-N,N-dimethylbenzamide
CID 59206208
1-(1,3-benzodioxol-5-yl)-N-[5-(2,5-dimethoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 162643306
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide
CID 100782978
CID 59206260
CID 59206260
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 59206689

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide (CID 59206321) is 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide is COc1ccc(-c2ccccc2)cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is YDMJYTIFHOIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-20-9-7-17(16-5-3-2-4-6-16)13-19(20)25-23(26)24(11-12-24)18-8-10-21-22(14-18)29-15-28-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,26).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59206321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).