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

C26H25N3O4 — CID 10072103

IUPACN-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25N3O4/c1-29-21-14-23(33-3)22(32-2)13-20(21)25(27-16-24(29)30)18-10-7-11-19(12-18)26(31)28-15-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,28,31)
InChIKeyWSRNBXZBMGBVAO-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.45
Rot. Bonds6

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

N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide (PubChem CID 10072103) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
PubChem CID10072103
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
SMILESCOc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H25N3O4/c1-29-21-14-23(33-3)22(32-2)13-20(21)25(27-16-24(29)30)18-10-7-11-19(12-18)26(31)28-15-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,28,31)
InChIKeyWSRNBXZBMGBVAO-UHFFFAOYSA-N
XLogP3.45
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
3-[(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)methyl]benzoic acid
CID 69155939
3-(8-methoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide
CID 10448865
3-[7-(2,4-dimethoxyphenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide
CID 11441786
7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 58983041
3-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 50950516
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
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The IUPAC name of N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide (CID 10072103) is N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide.
What is the SMILES notation for N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The canonical SMILES for N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide is COc1cc2c(cc1OC)N(C)C(=O)CN=C2c1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
The InChIKey is WSRNBXZBMGBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-29-21-14-23(33-3)22(32-2)13-20(21)25(27-16-24(29)30)18-10-7-11-19(12-18)26(31)28-15-17-8-5-4-6-9-17/h4-14H,15-16H2,1-3H3,(H,28,31).
What are the key properties of N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide?
N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(7,8-dimethoxy-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl)benzamide is sourced from PubChem (CID 10072103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).