1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C23H28N2O3 — CID 109143643

IUPAC1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C23H28N2O3/c1-5-25(18-8-6-7-16(4)13-18)23(27)21-14-20(21)22(26)24-17-9-11-19(12-10-17)28-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3,(H,24,26)
InChIKeyXXFQZLWPGGHEEU-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.41
Rot. Bonds7

About 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143643) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143643
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C23H28N2O3/c1-5-25(18-8-6-7-16(4)13-18)23(27)21-14-20(21)22(26)24-17-9-11-19(12-10-17)28-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3,(H,24,26)
InChIKeyXXFQZLWPGGHEEU-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
2-N-(2-chlorophenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142859
3-(N-ethyl-3-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040250
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143725
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-N-benzyl-1-N-propan-2-yl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139859
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143643) is 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)Nc1ccc(OC(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XXFQZLWPGGHEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-25(18-8-6-7-16(4)13-18)23(27)21-14-20(21)22(26)24-17-9-11-19(12-10-17)28-15(2)3/h6-13,15,20-21H,5,14H2,1-4H3,(H,24,26).
What are the key properties of 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).