3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide

C21H23N3O4 — CID 10362432

IUPAC3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCCCN1C(=O)CN=C(c2cccc(C(N)=O)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C21H23N3O4/c1-4-8-24-16-11-18(28-3)17(27-2)10-15(16)20(23-12-19(24)25)13-6-5-7-14(9-13)21(22)26/h5-7,9-11H,4,8,12H2,1-3H3,(H2,22,26)
InChIKeyQCMIUAFQXYEYIE-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.40
Rot. Bonds6

About 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide

3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide (PubChem CID 10362432) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide.

Molecular Properties

Compound Name3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide
PubChem CID10362432
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCCCN1C(=O)CN=C(c2cccc(C(N)=O)c2)c2cc(OC)c(OC)cc21
InChIInChI=1S/C21H23N3O4/c1-4-8-24-16-11-18(28-3)17(27-2)10-15(16)20(23-12-19(24)25)13-6-5-7-14(9-13)21(22)26/h5-7,9-11H,4,8,12H2,1-3H3,(H2,22,26)
InChIKeyQCMIUAFQXYEYIE-UHFFFAOYSA-N
XLogP2.40
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The IUPAC name of 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide (CID 10362432) is 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide.
What is the SMILES notation for 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The canonical SMILES for 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide is CCCN1C(=O)CN=C(c2cccc(C(N)=O)c2)c2cc(OC)c(OC)cc21.
What is the InChIKey of 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide?
The InChIKey is QCMIUAFQXYEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-8-24-16-11-18(28-3)17(27-2)10-15(16)20(23-12-19(24)25)13-6-5-7-14(9-13)21(22)26/h5-7,9-11H,4,8,12H2,1-3H3,(H2,22,26).
What are the key properties of 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide?
3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethoxy-2-oxo-1-propyl-3H-1,4-benzodiazepin-5-yl)benzamide is sourced from PubChem (CID 10362432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).