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

C23H25N3O2 — CID 3278501

IUPACN-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21(25-18-11-5-2-6-12-18)16-26-20-14-8-7-13-19(20)23(24-15-22(26)28)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,27)
InChIKeyMWUIVGDLENNVLK-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.32
Rot. Bonds4

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

N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 3278501) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID3278501
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C23H25N3O2/c27-21(25-18-11-5-2-6-12-18)16-26-20-14-8-7-13-19(20)23(24-15-22(26)28)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,27)
InChIKeyMWUIVGDLENNVLK-UHFFFAOYSA-N
XLogP3.32
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 3278501) is N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is MWUIVGDLENNVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21(25-18-11-5-2-6-12-18)16-26-20-14-8-7-13-19(20)23(24-15-22(26)28)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,27).
What are the key properties of N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 3278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).