2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

C20H22N2O2 — CID 109135043

IUPAC2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-15-10-6-7-11-18(15)22-20(24)17-12-16(17)19(23)21-13-14-8-4-3-5-9-14/h3-11,16-17H,2,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCTNJPAJIHUCPSM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.14
Rot. Bonds6

About 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109135043) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109135043
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-15-10-6-7-11-18(15)22-20(24)17-12-16(17)19(23)21-13-14-8-4-3-5-9-14/h3-11,16-17H,2,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyCTNJPAJIHUCPSM-UHFFFAOYSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
2-N-benzyl-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109135080
1-N-(2-tert-butylphenyl)-2-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141992
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133719
1-N-(2-ethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132991
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
1-N-ethyl-2-N-(2-ethylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141985
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109135043) is 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccccc1NC(=O)C1CC1C(=O)NCc1ccccc1.
What is the InChIKey of 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is CTNJPAJIHUCPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-15-10-6-7-11-18(15)22-20(24)17-12-16(17)19(23)21-13-14-8-4-3-5-9-14/h3-11,16-17H,2,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).