2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide

C14H26N4O — CID 176586839

IUPAC2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
SMILESCC(C)Cc1cn(CCCCNC(=O)C(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-11(2)9-13-10-18(17-16-13)8-6-5-7-15-14(19)12(3)4/h10-12H,5-9H2,1-4H3,(H,15,19)
InChIKeyDKMJKTZLOLCPRT-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.03
Rot. Bonds8

About 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide

2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide (PubChem CID 176586839) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
PubChem CID176586839
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
SMILESCC(C)Cc1cn(CCCCNC(=O)C(C)C)nn1
InChIInChI=1S/C14H26N4O/c1-11(2)9-13-10-18(17-16-13)8-6-5-7-15-14(19)12(3)4/h10-12H,5-9H2,1-4H3,(H,15,19)
InChIKeyDKMJKTZLOLCPRT-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.03
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

N-[3-[4-[[iodo(propan-2-yl)amino]methyl]triazol-1-yl]propyl]-2-methylpropanamide
CID 155459745
ethane;3-methyl-N-[4-(4-propyltriazol-1-yl)butyl]butanamide;10-[4-(2-methylpropyl)triazol-1-yl]decan-3-one
CID 164535699
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
methyl 2-[4-(2-methylpropyl)triazol-1-yl]acetate
CID 163656493
1-(4-azidobutyl)-4-(2-methylpropyl)triazole
CID 174868893
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697
3-[4-(methylaminomethyl)triazol-1-yl]propylurea
CID 156794759
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
2-methyl-7-[4-[2-(propan-2-ylamino)ethyl]triazol-1-yl]heptan-3-one
CID 158277877
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123
1-[1-(4-methylpentyl)triazol-4-yl]propane-2-thiol
CID 178008150
1-[3-(3,3-dimethylbutoxy)propyl]-4-(2-methylpropyl)triazole
CID 177117041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide (CID 176586839) is 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide is CC(C)Cc1cn(CCCCNC(=O)C(C)C)nn1.
What is the InChIKey of 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide?
The InChIKey is DKMJKTZLOLCPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(2)9-13-10-18(17-16-13)8-6-5-7-15-14(19)12(3)4/h10-12H,5-9H2,1-4H3,(H,15,19).
What are the key properties of 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide?
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide is sourced from PubChem (CID 176586839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).