3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide

C18H17N3O3 — CID 10448865

IUPAC3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1ccc2c(c1)N(C)C(=O)CN=C2c1cccc(C(N)=O)c1
InChIInChI=1S/C18H17N3O3/c1-21-15-9-13(24-2)6-7-14(15)17(20-10-16(21)22)11-4-3-5-12(8-11)18(19)23/h3-9H,10H2,1-2H3,(H2,19,23)
InChIKeyYBCGHILABYCPHC-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.61
Rot. Bonds3

About 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide

3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide (PubChem CID 10448865) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide.

Molecular Properties

Compound Name3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
PubChem CID10448865
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1ccc2c(c1)N(C)C(=O)CN=C2c1cccc(C(N)=O)c1
InChIInChI=1S/C18H17N3O3/c1-21-15-9-13(24-2)6-7-14(15)17(20-10-16(21)22)11-4-3-5-12(8-11)18(19)23/h3-9H,10H2,1-2H3,(H2,19,23)
InChIKeyYBCGHILABYCPHC-UHFFFAOYSA-N
XLogP1.61
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11441786
3-[7-(4-acetylphenyl)-8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11430620
3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10362432
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10072103
5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
3-[8-methoxy-7-(4-methoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile
CID 11246900
1-methyl-8-[(E)-3-oxobut-1-enyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58388830
7,8-dimethoxy-1-methyl-5-(3-nitrophenyl)-3H-1,4-benzodiazepin-2-one
CID 10066769
3-(8-methoxy-1-methyl-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile
CID 11246008
1-[2-(4-methoxyphenyl)-2-oxoethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 19432598
7,8-dimethoxy-5-(6-methoxynaphthalen-2-yl)-1-methyl-3H-1,4-benzodiazepin-2-one;5-(1H-indol-2-yl)-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 157466225

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The IUPAC name of 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide (CID 10448865) is 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide.
What is the SMILES notation for 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The canonical SMILES for 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide is COc1ccc2c(c1)N(C)C(=O)CN=C2c1cccc(C(N)=O)c1.
What is the InChIKey of 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The InChIKey is YBCGHILABYCPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-15-9-13(24-2)6-7-14(15)17(20-10-16(21)22)11-4-3-5-12(8-11)18(19)23/h3-9H,10H2,1-2H3,(H2,19,23).
What are the key properties of 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide has a molecular weight of 323.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide is sourced from PubChem (CID 10448865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).