2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide

C26H25N3O3 — CID 51842003

IUPAC2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c30-24(17-23-26(32)28-22-14-8-7-13-21(22)25(31)29-23)27-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15-17H2,(H,27,30)(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyFODSDYQZXDTSFN-HSZRJFAPSA-N
MW427.50 g/mol
LogP3.47
Rot. Bonds7

About 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide

2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide (PubChem CID 51842003) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide
PubChem CID51842003
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide
SMILESO=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c30-24(17-23-26(32)28-22-14-8-7-13-21(22)25(31)29-23)27-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15-17H2,(H,27,30)(H,28,32)(H,29,31)/t23-/m1/s1
InChIKeyFODSDYQZXDTSFN-HSZRJFAPSA-N
XLogP3.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide (CID 51842003) is 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide is O=C(C[C@H]1NC(=O)c2ccccc2NC1=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is FODSDYQZXDTSFN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24(17-23-26(32)28-22-14-8-7-13-21(22)25(31)29-23)27-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20,23H,15-17H2,(H,27,30)(H,28,32)(H,29,31)/t23-/m1/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide?
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 51842003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).