4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide

C15H26N4O2 — CID 155323027

IUPAC4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
SMILESCC(C)(C)CCC(=O)NCc1cn(CCCCC=O)nn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)8-7-14(21)16-11-13-12-19(18-17-13)9-5-4-6-10-20/h10,12H,4-9,11H2,1-3H3,(H,16,21)
InChIKeyCQSZQBWFLWZDHP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.09
Rot. Bonds9

About 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide

4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide (PubChem CID 155323027) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
PubChem CID155323027
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide
SMILESCC(C)(C)CCC(=O)NCc1cn(CCCCC=O)nn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)8-7-14(21)16-11-13-12-19(18-17-13)9-5-4-6-10-20/h10,12H,4-9,11H2,1-3H3,(H,16,21)
InChIKeyCQSZQBWFLWZDHP-UHFFFAOYSA-N
XLogP2.09
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(methylamino)-N-[[1-(4-methylpentyl)triazol-4-yl]methyl]butanamide;propanal
CID 171554916
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
N-[[1-[3-[4-(formamidomethyl)triazol-1-yl]propyl]triazol-4-yl]methyl]formamide
CID 145496803
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
4-[4-[[[3-[(4-tert-butyl-1,2-oxazol-3-yl)methylamino]-3-oxopropanoyl]amino]methyl]triazol-1-yl]butanoic acid
CID 167870047
1-(9,9-dimethyldecyl)-4-(6,6-dimethylheptyl)triazole
CID 155620964
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
5-[1-(4,4-dimethylpentyl)triazol-4-yl]pentanoic acid
CID 114210114
2-[4-[[[2-(3,3-dimethylbutanoylamino)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698047
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
1-(7,7-dimethyloctyl)-4-(2,2-dimethylpropyl)triazole
CID 138467323
ethane;[1-[3-(ethylamino)propyl]triazol-4-yl]methylcarbamothioic S-acid
CID 156802536

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide (CID 155323027) is 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide is CC(C)(C)CCC(=O)NCc1cn(CCCCC=O)nn1.
What is the InChIKey of 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide?
The InChIKey is CQSZQBWFLWZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)8-7-14(21)16-11-13-12-19(18-17-13)9-5-4-6-10-20/h10,12H,4-9,11H2,1-3H3,(H,16,21).
What are the key properties of 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide?
4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[[1-(5-oxopentyl)triazol-4-yl]methyl]pentanamide is sourced from PubChem (CID 155323027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).