2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide

C18H24N4O2 — CID 2929720

IUPAC2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)17(24)21-15-8-5-4-7-14(15)16(23)20-9-6-11-22-12-10-19-13-22/h4-5,7-8,10,12-13H,6,9,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyKWEKZQSMTQYTDG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.69
Rot. Bonds6

About 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide

2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 2929720) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID2929720
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESCC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)17(24)21-15-8-5-4-7-14(15)16(23)20-9-6-11-22-12-10-19-13-22/h4-5,7-8,10,12-13H,6,9,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyKWEKZQSMTQYTDG-UHFFFAOYSA-N
XLogP2.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-[(4-fluorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 3615178
N-(3-imidazol-1-ylpropyl)-2-[(2,3,4-trichlorophenyl)sulfonylamino]benzamide
CID 13280079
hydron;N-(3-imidazol-1-ylpropyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide;chloride
CID 3000011
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 13280089
N-(3-imidazol-1-ylpropyl)-2-methylfuran-3-carboxamide
CID 3766728

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide (CID 2929720) is 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide is CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is KWEKZQSMTQYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)17(24)21-15-8-5-4-7-14(15)16(23)20-9-6-11-22-12-10-19-13-22/h4-5,7-8,10,12-13H,6,9,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide?
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 2929720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).