N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide

C18H24N4O2 — CID 111536714

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H24N4O2/c1-2-22-13-19-21-17(22)14-8-4-5-9-15(14)20-16(23)12-18(24)10-6-3-7-11-18/h4-5,8-9,13,24H,2-3,6-7,10-12H2,1H3,(H,20,23)
InChIKeyPIGRDLUDTJAQQJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide

N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111536714) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111536714
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C18H24N4O2/c1-2-22-13-19-21-17(22)14-8-4-5-9-15(14)20-16(23)12-18(24)10-6-3-7-11-18/h4-5,8-9,13,24H,2-3,6-7,10-12H2,1H3,(H,20,23)
InChIKeyPIGRDLUDTJAQQJ-UHFFFAOYSA-N
XLogP2.99
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119733347
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
1-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111840673
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
2-(1-hydroxycyclopentyl)-N-(2-propylphenyl)acetamide
CID 111536639
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 71879000

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111536714) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide is CCn1cnnc1-c1ccccc1NC(=O)CC1(O)CCCCC1.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is PIGRDLUDTJAQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-22-13-19-21-17(22)14-8-4-5-9-15(14)20-16(23)12-18(24)10-6-3-7-11-18/h4-5,8-9,13,24H,2-3,6-7,10-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111536714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).