N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C21H23N3O2 — CID 15992383

IUPACN-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-15(2)23-19(25)14-24-18-12-8-7-11-17(18)21(22-13-20(24)26)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,25)
InChIKeyCBOXLKKLLIYTIN-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds5

About N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 15992383) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID15992383
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCC(C)NC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-15(2)23-19(25)14-24-18-12-8-7-11-17(18)21(22-13-20(24)26)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,25)
InChIKeyCBOXLKKLLIYTIN-UHFFFAOYSA-N
XLogP2.79
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 15992383) is N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is CCC(C)NC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is CBOXLKKLLIYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-15(2)23-19(25)14-24-18-12-8-7-11-17(18)21(22-13-20(24)26)16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 15992383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).