N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

C15H26N4O — CID 51094230

IUPACN-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCC1CCC(CNC(=O)CCCn2cncn2)CC1
InChIInChI=1S/C15H26N4O/c1-2-13-5-7-14(8-6-13)10-17-15(20)4-3-9-19-12-16-11-18-19/h11-14H,2-10H2,1H3,(H,17,20)
InChIKeyYOLIYAOQXIKOHN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds7

About N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 51094230) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID51094230
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCC1CCC(CNC(=O)CCCn2cncn2)CC1
InChIInChI=1S/C15H26N4O/c1-2-13-5-7-14(8-6-13)10-17-15(20)4-3-9-19-12-16-11-18-19/h11-14H,2-10H2,1H3,(H,17,20)
InChIKeyYOLIYAOQXIKOHN-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492212
N-(propan-2-yl)-2-[1-(1H-tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 45492916
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]butanamide
CID 47029801
N-(cyclopentylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 53520691
trans-N-pentyl-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49654807
N-[3-(1,2,4-triazol-1-yl)propyl]cyclopentanecarboxamide
CID 51079283
N-(2,6-dimethylheptan-4-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 71933440
trans-N-(propan-2-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
CID 49655201
4-(1,2,4-triazol-1-yl)-N-[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]butanamide
CID 137993425
N-(4-methylcyclohexyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 42947733
2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]hexanamide
CID 138583477
2-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]octanamide
CID 146509984

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 51094230) is N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is CCC1CCC(CNC(=O)CCCn2cncn2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is YOLIYAOQXIKOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-13-5-7-14(8-6-13)10-17-15(20)4-3-9-19-12-16-11-18-19/h11-14H,2-10H2,1H3,(H,17,20).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 51094230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).