1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide

C19H25N3O3 — CID 108972267

IUPAC1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)22-18(25)19(11-12-19)17(24)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyMFXLNRSABOJKPV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds5

About 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide

1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (PubChem CID 108972267) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
PubChem CID108972267
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)22-18(25)19(11-12-19)17(24)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyMFXLNRSABOJKPV-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
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'-(3-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972266
1-N-cyclohexyl-1-N'-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108972257
1-N-cyclopentyl-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971842
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
4-acetamido-N-cyclooctylbenzamide
CID 2990044
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970739
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide (CID 108972267) is 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
The InChIKey is MFXLNRSABOJKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(23)20-15-7-9-16(10-8-15)22-18(25)19(11-12-19)17(24)21-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide?
1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-acetamidophenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).