N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide

C14H14N4O4 — CID 171978184

IUPACN-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
SMILESCn1c(=O)c(N)c(NC(=O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-12(20)9(15)10(13(21)18(2)14(17)22)16-11(19)8-6-4-3-5-7-8/h3-7H,15H2,1-2H3,(H,16,19)
InChIKeyOKUASFOHKNBMHU-UHFFFAOYSA-N
MW302.29 g/mol
LogP-0.72
Rot. Bonds2

About N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide

N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide (PubChem CID 171978184) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
PubChem CID171978184
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide
SMILESCn1c(=O)c(N)c(NC(=O)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H14N4O4/c1-17-12(20)9(15)10(13(21)18(2)14(17)22)16-11(19)8-6-4-3-5-7-8/h3-7H,15H2,1-2H3,(H,16,19)
InChIKeyOKUASFOHKNBMHU-UHFFFAOYSA-N
XLogP-0.72
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide?
The IUPAC name of N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide (CID 171978184) is N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide.
What is the SMILES notation for N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide?
The canonical SMILES for N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide is Cn1c(=O)c(N)c(NC(=O)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide?
The InChIKey is OKUASFOHKNBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-17-12(20)9(15)10(13(21)18(2)14(17)22)16-11(19)8-6-4-3-5-7-8/h3-7H,15H2,1-2H3,(H,16,19).
What are the key properties of N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide?
N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide has a molecular weight of 302.29 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-dimethyl-2,4,7-trioxo-1,3-diazepin-5-yl)benzamide is sourced from PubChem (CID 171978184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).