2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide

C23H28N4O3 — CID 68835695

IUPAC2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2)N(O)C(C2CCCCC2)c2ccccc21
InChIInChI=1S/C23H28N4O3/c1-25-20-15-9-8-14-19(20)22(17-10-4-2-5-11-17)27(30)26(23(25)29)16-21(28)24-18-12-6-3-7-13-18/h3,6-9,12-15,17,22,30H,2,4-5,10-11,16H2,1H3,(H,24,28)
InChIKeyCCLSULRMZBKVBK-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.42
Rot. Bonds4

About 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide

2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide (PubChem CID 68835695) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide
PubChem CID68835695
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2)N(O)C(C2CCCCC2)c2ccccc21
InChIInChI=1S/C23H28N4O3/c1-25-20-15-9-8-14-19(20)22(17-10-4-2-5-11-17)27(30)26(23(25)29)16-21(28)24-18-12-6-3-7-13-18/h3,6-9,12-15,17,22,30H,2,4-5,10-11,16H2,1H3,(H,24,28)
InChIKeyCCLSULRMZBKVBK-UHFFFAOYSA-N
XLogP4.42
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide with MolForge

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Related Compounds

(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 7800483
N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide
CID 165423803
13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
CID 58677126
2-cyclohexylsulfanyl-N-phenylacetamide
CID 23932731
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-phenylacetamide
CID 17409210
(2-anilino-2-oxoethyl) 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2124041
2-[(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-phenylacetamide
CID 100848339
3-[[2-[5-cyclohexyl-1-(2-cyclohexyl-2-oxoethyl)-2-oxo-4,5-dihydro-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
CID 11376236
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide (CID 68835695) is 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide is CN1C(=O)N(CC(=O)Nc2ccccc2)N(O)C(C2CCCCC2)c2ccccc21.
What is the InChIKey of 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide?
The InChIKey is CCLSULRMZBKVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-25-20-15-9-8-14-19(20)22(17-10-4-2-5-11-17)27(30)26(23(25)29)16-21(28)24-18-12-6-3-7-13-18/h3,6-9,12-15,17,22,30H,2,4-5,10-11,16H2,1H3,(H,24,28).
What are the key properties of 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide?
2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide has a molecular weight of 408.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyl-4-hydroxy-1-methyl-2-oxo-5H-1,3,4-benzotriazepin-3-yl)-N-phenylacetamide is sourced from PubChem (CID 68835695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).