4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C22H24N4O — CID 26928258

IUPAC4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C22H24N4O/c27-22(23-15-14-17-6-2-1-3-7-17)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-25-26/h4-6,8-13H,1-3,7,14-16H2,(H,23,27)
InChIKeyIPIMRXOBVAJXGE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.10
Rot. Bonds6

About 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide

4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 26928258) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID26928258
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cn2nnc3ccccc32)cc1
InChIInChI=1S/C22H24N4O/c27-22(23-15-14-17-6-2-1-3-7-17)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-25-26/h4-6,8-13H,1-3,7,14-16H2,(H,23,27)
InChIKeyIPIMRXOBVAJXGE-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907384
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9088736
4-(benzotriazol-1-ylmethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 17469934
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
CID 27700431
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 39083948
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067637
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908444

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 26928258) is 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide is O=C(NCCC1=CCCCC1)c1ccc(Cn2nnc3ccccc32)cc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is IPIMRXOBVAJXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(23-15-14-17-6-2-1-3-7-17)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-25-26/h4-6,8-13H,1-3,7,14-16H2,(H,23,27).
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 26928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).