7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide

C21H24N2O3 — CID 130366612

IUPAC7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide
SMILESCNC(=O)N1C=C(c2ccccc2)c2cc(OC)c(OC)cc2CC1C
InChIInChI=1S/C21H24N2O3/c1-14-10-16-11-19(25-3)20(26-4)12-17(16)18(13-23(14)21(24)22-2)15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,22,24)
InChIKeyAKRIAGFNPIYRCY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.68
Rot. Bonds3

About 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide

7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide (PubChem CID 130366612) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide
PubChem CID130366612
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide
SMILESCNC(=O)N1C=C(c2ccccc2)c2cc(OC)c(OC)cc2CC1C
InChIInChI=1S/C21H24N2O3/c1-14-10-16-11-19(25-3)20(26-4)12-17(16)18(13-23(14)21(24)22-2)15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,22,24)
InChIKeyAKRIAGFNPIYRCY-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide?
The IUPAC name of 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide (CID 130366612) is 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide.
What is the SMILES notation for 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide?
The canonical SMILES for 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide is CNC(=O)N1C=C(c2ccccc2)c2cc(OC)c(OC)cc2CC1C.
What is the InChIKey of 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide?
The InChIKey is AKRIAGFNPIYRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-10-16-11-19(25-3)20(26-4)12-17(16)18(13-23(14)21(24)22-2)15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,22,24).
What are the key properties of 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide?
7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N,2-dimethyl-5-phenyl-1,2-dihydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 130366612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).