N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide

C18H24N4O2 — CID 74240570

IUPACN-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C18H24N4O2/c23-18(19-11-6-12-24-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17-20-13-21-22-17/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,19,23)(H,20,21,22)
InChIKeyXDGRFUXWRFVLDV-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.94
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide

N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 74240570) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID74240570
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(NCCCOC1CCCCC1)c1ccccc1-c1ncn[nH]1
InChIInChI=1S/C18H24N4O2/c23-18(19-11-6-12-24-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17-20-13-21-22-17/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,19,23)(H,20,21,22)
InChIKeyXDGRFUXWRFVLDV-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-[(2-bromobenzoyl)amino]-N-(3-cyclohexyloxypropyl)benzamide
CID 26549820
N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532623
N-(3-cyclohexyloxypropyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 74233551
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
CID 39950494
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46491033
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 74240570) is N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide is O=C(NCCCOC1CCCCC1)c1ccccc1-c1ncn[nH]1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is XDGRFUXWRFVLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(19-11-6-12-24-14-7-2-1-3-8-14)16-10-5-4-9-15(16)17-20-13-21-22-17/h4-5,9-10,13-14H,1-3,6-8,11-12H2,(H,19,23)(H,20,21,22).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 74240570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).