1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide

C22H24N2O5 — CID 109139542

IUPAC1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-14(25)15-4-3-5-16(12-15)24-22(27)20-13-19(20)21(26)23-10-11-29-18-8-6-17(28-2)7-9-18/h3-9,12,19-20H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQCUNELIHBWKFS-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.67
Rot. Bonds9

About 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109139542) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109139542
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-14(25)15-4-3-5-16(12-15)24-22(27)20-13-19(20)21(26)23-10-11-29-18-8-6-17(28-2)7-9-18/h3-9,12,19-20H,10-11,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyWQCUNELIHBWKFS-UHFFFAOYSA-N
XLogP2.67
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139522
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
1-N-(3-acetylphenyl)-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137659
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 108990581
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
2-N-[2-(4-methoxyphenoxy)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136894
2-N-(3-acetylphenyl)-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142489
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide (CID 109139542) is 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide is COc1ccc(OCCNC(=O)C2CC2C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is WQCUNELIHBWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-14(25)15-4-3-5-16(12-15)24-22(27)20-13-19(20)21(26)23-10-11-29-18-8-6-17(28-2)7-9-18/h3-9,12,19-20H,10-11,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).