N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C17H29N3O — CID 66645371

IUPACN-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C17H29N3O/c1-13(2)15-6-5-14(3)11-16(15)17(21)19-7-4-9-20-10-8-18-12-20/h8,10,12-16H,4-7,9,11H2,1-3H3,(H,19,21)
InChIKeyJBUKYBRFYXCFCR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.10
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66645371) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66645371
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(C)C)C(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C17H29N3O/c1-13(2)15-6-5-14(3)11-16(15)17(21)19-7-4-9-20-10-8-18-12-20/h8,10,12-16H,4-7,9,11H2,1-3H3,(H,19,21)
InChIKeyJBUKYBRFYXCFCR-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 66645371) is N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC1CCC(C(C)C)C(C(=O)NCCCn2ccnc2)C1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is JBUKYBRFYXCFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)15-6-5-14(3)11-16(15)17(21)19-7-4-9-20-10-8-18-12-20/h8,10,12-16H,4-7,9,11H2,1-3H3,(H,19,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66645371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).