5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one

C19H22N2O — CID 23554410

IUPAC5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one
SMILESCNC1C(=O)N(c2ccccc2)Cc2ccccc2C1(C)C
InChIInChI=1S/C19H22N2O/c1-19(2)16-12-8-7-9-14(16)13-21(18(22)17(19)20-3)15-10-5-4-6-11-15/h4-12,17,20H,13H2,1-3H3
InChIKeyKTIQJIDMDNMQTD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.10
Rot. Bonds2

About 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one

5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one (PubChem CID 23554410) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one
PubChem CID23554410
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one
SMILESCNC1C(=O)N(c2ccccc2)Cc2ccccc2C1(C)C
InChIInChI=1S/C19H22N2O/c1-19(2)16-12-8-7-9-14(16)13-21(18(22)17(19)20-3)15-10-5-4-6-11-15/h4-12,17,20H,13H2,1-3H3
InChIKeyKTIQJIDMDNMQTD-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one?
The IUPAC name of 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one (CID 23554410) is 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one.
What is the SMILES notation for 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one?
The canonical SMILES for 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one is CNC1C(=O)N(c2ccccc2)Cc2ccccc2C1(C)C.
What is the InChIKey of 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one?
The InChIKey is KTIQJIDMDNMQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2)16-12-8-7-9-14(16)13-21(18(22)17(19)20-3)15-10-5-4-6-11-15/h4-12,17,20H,13H2,1-3H3.
What are the key properties of 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one?
5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one has a molecular weight of 294.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one is sourced from PubChem (CID 23554410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).