1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C21H30N2O2 — CID 108972199

IUPAC1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16(2)23(15-17-9-5-3-6-10-17)20(25)21(13-14-21)19(24)22-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyRSTMYYWYNJCKQT-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.65
Rot. Bonds6

About 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108972199) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108972199
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C21H30N2O2/c1-16(2)23(15-17-9-5-3-6-10-17)20(25)21(13-14-21)19(24)22-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,22,24)
InChIKeyRSTMYYWYNJCKQT-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108972011
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
1-N-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
1-N'-benzyl-1-N-(4-cyanophenyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979621
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
(2S)-N-cyclohexyl-2-(dibenzylamino)-2-(4-methylphenyl)acetamide
CID 94233334

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108972199) is 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is RSTMYYWYNJCKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(2)23(15-17-9-5-3-6-10-17)20(25)21(13-14-21)19(24)22-18-11-7-4-8-12-18/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,22,24).
What are the key properties of 1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.65, 6 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-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).