N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide

C18H24N4O2 — CID 11695584

IUPACN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-22(2)15-8-6-14(7-9-15)16(23)21-18(10-4-3-5-11-18)17(24)20-13-12-19/h6-9H,3-5,10-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyCIKGBCAQPJZAOZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.83
Rot. Bonds5

About N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide

N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide (PubChem CID 11695584) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide
PubChem CID11695584
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-22(2)15-8-6-14(7-9-15)16(23)21-18(10-4-3-5-11-18)17(24)20-13-12-19/h6-9H,3-5,10-11,13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyCIKGBCAQPJZAOZ-UHFFFAOYSA-N
XLogP1.83
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide (CID 11695584) is N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2(C(=O)NCC#N)CCCCC2)cc1.
What is the InChIKey of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide?
The InChIKey is CIKGBCAQPJZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-22(2)15-8-6-14(7-9-15)16(23)21-18(10-4-3-5-11-18)17(24)20-13-12-19/h6-9H,3-5,10-11,13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide?
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 11695584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).