1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

C23H28N2O3 — CID 108977761

IUPAC1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)19-6-4-5-7-20(19)25-22(27)23(13-14-23)21(26)24-15-12-17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUTTDYLLGEWVHSS-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.90
Rot. Bonds8

About 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977761) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977761
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)19-6-4-5-7-20(19)25-22(27)23(13-14-23)21(26)24-15-12-17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUTTDYLLGEWVHSS-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977765
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977592
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977756
1-N-[3-(dimethylamino)propyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973810
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-(2-ethylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977134
1-N'-(2-ethoxyphenyl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977513

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108977761) is 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(CCNC(=O)C2(C(=O)Nc3ccccc3C(C)C)CC2)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is UTTDYLLGEWVHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)19-6-4-5-7-20(19)25-22(27)23(13-14-23)21(26)24-15-12-17-8-10-18(28-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).