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

C16H20N4O2 — CID 138000636

IUPACN-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)NC1CCC(O)CC1
InChIInChI=1S/C16H20N4O2/c21-15-7-3-13(4-8-15)19-16(22)9-12-1-5-14(6-2-12)20-10-17-18-11-20/h1-2,5-6,10-11,13,15,21H,3-4,7-9H2,(H,19,22)
InChIKeyVQPSWUKJMSXOKC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.23
Rot. Bonds4

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

N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 138000636) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID138000636
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnc2)cc1)NC1CCC(O)CC1
InChIInChI=1S/C16H20N4O2/c21-15-7-3-13(4-8-15)19-16(22)9-12-1-5-14(6-2-12)20-10-17-18-11-20/h1-2,5-6,10-11,13,15,21H,3-4,7-9H2,(H,19,22)
InChIKeyVQPSWUKJMSXOKC-UHFFFAOYSA-N
XLogP1.23
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-2-oxopiperidin-4-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 138000644
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylacetamide
CID 43508886
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70736244
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 136548790

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 138000636) is N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnc2)cc1)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is VQPSWUKJMSXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-7-3-13(4-8-15)19-16(22)9-12-1-5-14(6-2-12)20-10-17-18-11-20/h1-2,5-6,10-11,13,15,21H,3-4,7-9H2,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 138000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).