3-(1-dodecyltriazol-4-yl)propanamide

C17H32N4O — CID 138710438

IUPAC3-(1-dodecyltriazol-4-yl)propanamide
SMILESCCCCCCCCCCCCn1cc(CCC(N)=O)nn1
InChIInChI=1S/C17H32N4O/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-16(19-20-21)12-13-17(18)22/h15H,2-14H2,1H3,(H2,18,22)
InChIKeyUGCZSQCLCRFXMO-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.62
Rot. Bonds14

About 3-(1-dodecyltriazol-4-yl)propanamide

3-(1-dodecyltriazol-4-yl)propanamide (PubChem CID 138710438) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(1-dodecyltriazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(1-dodecyltriazol-4-yl)propanamide
PubChem CID138710438
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name3-(1-dodecyltriazol-4-yl)propanamide
SMILESCCCCCCCCCCCCn1cc(CCC(N)=O)nn1
InChIInChI=1S/C17H32N4O/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-16(19-20-21)12-13-17(18)22/h15H,2-14H2,1H3,(H2,18,22)
InChIKeyUGCZSQCLCRFXMO-UHFFFAOYSA-N
XLogP3.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-nonyltriazol-4-yl)propanoic acid
CID 107460574
1,4-dioctyltriazole
CID 22628762
4-heptyl-1-octyltriazole
CID 146568784
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
ethyl 3-(4-pentyltriazol-1-yl)propanoate
CID 139241705
1-heptyl-4-(3-methylbutyl)triazole
CID 68683945
1-[1-(5-hexyldodecyl)triazol-4-yl]-4-methylheptan-3-one
CID 138737600
2-[2-(1-octyltriazol-4-yl)ethyl]propane-1,3-diol
CID 175884654

Frequently Asked Questions

What is the IUPAC name of 3-(1-dodecyltriazol-4-yl)propanamide?
The IUPAC name of 3-(1-dodecyltriazol-4-yl)propanamide (CID 138710438) is 3-(1-dodecyltriazol-4-yl)propanamide.
What is the SMILES notation for 3-(1-dodecyltriazol-4-yl)propanamide?
The canonical SMILES for 3-(1-dodecyltriazol-4-yl)propanamide is CCCCCCCCCCCCn1cc(CCC(N)=O)nn1.
What is the InChIKey of 3-(1-dodecyltriazol-4-yl)propanamide?
The InChIKey is UGCZSQCLCRFXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-16(19-20-21)12-13-17(18)22/h15H,2-14H2,1H3,(H2,18,22).
What are the key properties of 3-(1-dodecyltriazol-4-yl)propanamide?
3-(1-dodecyltriazol-4-yl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 3.62, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-dodecyltriazol-4-yl)propanamide is sourced from PubChem (CID 138710438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).