4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide

C17H25N5O — CID 126807677

IUPAC4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCCCn2cncn2)cc1
InChIInChI=1S/C17H25N5O/c1-3-4-11-21(2)16-8-6-15(7-9-16)17(23)19-10-5-12-22-14-18-13-20-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,19,23)
InChIKeyQICKOFMWPGRBFV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.33
Rot. Bonds9

About 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide

4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide (PubChem CID 126807677) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
PubChem CID126807677
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCCCn2cncn2)cc1
InChIInChI=1S/C17H25N5O/c1-3-4-11-21(2)16-8-6-15(7-9-16)17(23)19-10-5-12-22-14-18-13-20-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,19,23)
InChIKeyQICKOFMWPGRBFV-UHFFFAOYSA-N
XLogP2.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-oxo-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 47182500
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 95167728
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[butyl(methyl)amino]-N-(1-methyl-5-oxo-4H-imidazol-2-yl)benzamide
CID 126829041
N-butyl-N-[(2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 50955019
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-[butyl(methyl)amino]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445696

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide (CID 126807677) is 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide is CCCCN(C)c1ccc(C(=O)NCCCn2cncn2)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide?
The InChIKey is QICKOFMWPGRBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-4-11-21(2)16-8-6-15(7-9-16)17(23)19-10-5-12-22-14-18-13-20-22/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,19,23).
What are the key properties of 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide?
4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide is sourced from PubChem (CID 126807677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).