1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C22H23N3O2 — CID 108979621

IUPAC1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(2)25(15-18-6-4-3-5-7-18)21(27)22(12-13-22)20(26)24-19-10-8-17(14-23)9-11-19/h3-11,16H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyLDRNAEZYNLCMTI-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.71
Rot. Bonds6

About 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108979621) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108979621
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(2)25(15-18-6-4-3-5-7-18)21(27)22(12-13-22)20(26)24-19-10-8-17(14-23)9-11-19/h3-11,16H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyLDRNAEZYNLCMTI-UHFFFAOYSA-N
XLogP3.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
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-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
3-N-benzyl-1-N-(4-cyanophenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109056164
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256
N-[(4-cyanophenyl)methyl]-5-(phenylcarbamoylamino)-N-propan-2-ylthiophene-2-carboxamide
CID 78853392
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
1-[(4-cyanophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035312

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108979621) is 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is LDRNAEZYNLCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)25(15-18-6-4-3-5-7-18)21(27)22(12-13-22)20(26)24-19-10-8-17(14-23)9-11-19/h3-11,16H,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).