8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide

C13H17N3O2 — CID 173083856

IUPAC8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide
SMILESCC1(C)CCC(=O)N(C(N)=O)c2cc(N)ccc21
InChIInChI=1S/C13H17N3O2/c1-13(2)6-5-11(17)16(12(15)18)10-7-8(14)3-4-9(10)13/h3-4,7H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyOJMJPBRMQALCBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.75
Rot. Bonds

About 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide

8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide (PubChem CID 173083856) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide
PubChem CID173083856
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide
SMILESCC1(C)CCC(=O)N(C(N)=O)c2cc(N)ccc21
InChIInChI=1S/C13H17N3O2/c1-13(2)6-5-11(17)16(12(15)18)10-7-8(14)3-4-9(10)13/h3-4,7H,5-6,14H2,1-2H3,(H2,15,18)
InChIKeyOJMJPBRMQALCBH-UHFFFAOYSA-N
XLogP1.75
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide?
The IUPAC name of 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide (CID 173083856) is 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide is CC1(C)CCC(=O)N(C(N)=O)c2cc(N)ccc21.
What is the InChIKey of 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide?
The InChIKey is OJMJPBRMQALCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)6-5-11(17)16(12(15)18)10-7-8(14)3-4-9(10)13/h3-4,7H,5-6,14H2,1-2H3,(H2,15,18).
What are the key properties of 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide?
8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 173083856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).