2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C20H23N3O2 — CID 162787464

IUPAC2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2CNc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)11-15-12-21-17-5-3-4-6-18(17)23-20(15)25/h3-10,13,15,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGQGQTRGOYFUGHG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 162787464) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID162787464
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CC2CNc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)11-15-12-21-17-5-3-4-6-18(17)23-20(15)25/h3-10,13,15,21H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGQGQTRGOYFUGHG-UHFFFAOYSA-N
XLogP3.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-phenylacetamide
CID 162787462
2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2960294
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40642850
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 58770019
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55510985
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
5-oxo-6-[2-oxo-2-(4-propan-2-ylanilino)ethyl]thiomorpholine-3-carboxylic acid
CID 17190499
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 162787464) is 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CC2CNc3ccccc3NC2=O)cc1.
What is the InChIKey of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is GQGQTRGOYFUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)14-7-9-16(10-8-14)22-19(24)11-15-12-21-17-5-3-4-6-18(17)23-20(15)25/h3-10,13,15,21H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 162787464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).