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

C22H24N2O5 — CID 108979294

IUPAC1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-15(25)16-3-5-17(6-4-16)24-21(27)22(11-12-22)20(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUGPSSMQKUXBSQZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.81
Rot. Bonds9

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

1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108979294) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108979294
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1
InChIInChI=1S/C22H24N2O5/c1-15(25)16-3-5-17(6-4-16)24-21(27)22(11-12-22)20(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUGPSSMQKUXBSQZ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979261
1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395
1-N-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977809
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide (CID 108979294) is 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide is COc1ccc(OCCNC(=O)C2(C(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1.
What is the InChIKey of 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is UGPSSMQKUXBSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(25)16-3-5-17(6-4-16)24-21(27)22(11-12-22)20(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-10H,11-14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-acetylphenyl)-1-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).