1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C22H26N2O2 — CID 109135445

IUPAC1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(15-18-7-5-4-6-8-18)22(26)20-13-19(20)21(25)23-14-17-11-9-16(2)10-12-17/h4-12,19-20H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyCWMATTACJCWYEF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.30
Rot. Bonds7

About 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135445) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135445
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C22H26N2O2/c1-3-24(15-18-7-5-4-6-8-18)22(26)20-13-19(20)21(25)23-14-17-11-9-16(2)10-12-17/h4-12,19-20H,3,13-15H2,1-2H3,(H,23,25)
InChIKeyCWMATTACJCWYEF-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
1-N,2-N,2-N-tribenzylcyclohex-4-ene-1,2-dicarboxamide
CID 19133731
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207
2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136072
1-N-(2-chlorophenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135516

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135445) is 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is CWMATTACJCWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24(15-18-7-5-4-6-8-18)22(26)20-13-19(20)21(25)23-14-17-11-9-16(2)10-12-17/h4-12,19-20H,3,13-15H2,1-2H3,(H,23,25).
What are the key properties of 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).