N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide

C20H20N4O3 — CID 10248203

IUPACN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O3/c25-19-18(23-20(26)24-10-12-27-13-11-24)22-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-19/h1-9,18H,10-13H2,(H,21,25)(H,23,26)
InChIKeyNHTVXIJGLUEUIN-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.84
Rot. Bonds2

About N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide (PubChem CID 10248203) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide
PubChem CID10248203
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC NameN-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=O)N1CCOCC1
InChIInChI=1S/C20H20N4O3/c25-19-18(23-20(26)24-10-12-27-13-11-24)22-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-19/h1-9,18H,10-13H2,(H,21,25)(H,23,26)
InChIKeyNHTVXIJGLUEUIN-UHFFFAOYSA-N
XLogP1.84
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide (CID 10248203) is N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide is O=C1Nc2ccccc2C(c2ccccc2)=NC1NC(=O)N1CCOCC1.
What is the InChIKey of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide?
The InChIKey is NHTVXIJGLUEUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19-18(23-20(26)24-10-12-27-13-11-24)22-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-19/h1-9,18H,10-13H2,(H,21,25)(H,23,26).
What are the key properties of N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide?
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide is sourced from PubChem (CID 10248203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).