1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide

C21H24N2O4 — CID 108977169

IUPAC1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-17-9-8-16(14-18(17)27-2)23-20(25)21(11-12-21)19(24)22-13-10-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGCWYMFZTLPKMJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.78
Rot. Bonds8

About 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide

1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977169) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977169
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-26-17-9-8-16(14-18(17)27-2)23-20(25)21(11-12-21)19(24)22-13-10-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGCWYMFZTLPKMJ-UHFFFAOYSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096402
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669
N-(3,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963883
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-(3,4-dimethoxyphenyl)-3-(2-phenylethyl)thiourea
CID 7738775
1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977809
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide (CID 108977169) is 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)NCCc3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is LGCWYMFZTLPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-17-9-8-16(14-18(17)27-2)23-20(25)21(11-12-21)19(24)22-13-10-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).