1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C20H28N2O2 — CID 109135182

IUPAC1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O2/c1-14-8-6-7-9-15(14)13-21-19(23)17-12-18(17)20(24)22-16-10-4-2-3-5-11-16/h6-9,16-18H,2-5,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyQTGYYUALKKLRAL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.09
Rot. Bonds5

About 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135182) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135182
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H28N2O2/c1-14-8-6-7-9-15(14)13-21-19(23)17-12-18(17)20(24)22-16-10-4-2-3-5-11-16/h6-9,16-18H,2-5,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyQTGYYUALKKLRAL-UHFFFAOYSA-N
XLogP3.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 109134650
2-N-cyclopentyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132081
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135235
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135182) is 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is Cc1ccccc1CNC(=O)C1CC1C(=O)NC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is QTGYYUALKKLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-8-6-7-9-15(14)13-21-19(23)17-12-18(17)20(24)22-16-10-4-2-3-5-11-16/h6-9,16-18H,2-5,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).