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

C15H22N2O — CID 23554449

IUPAC1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one
SMILESCCN1C(=O)C(NC)CC(C)(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-5-17-13-9-7-6-8-11(13)15(2,3)10-12(16-4)14(17)18/h6-9,12,16H,5,10H2,1-4H3
InChIKeyVDCQNHLBGDWTII-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds2

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

1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one (PubChem CID 23554449) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one
PubChem CID23554449
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one
SMILESCCN1C(=O)C(NC)CC(C)(C)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-5-17-13-9-7-6-8-11(13)15(2,3)10-12(16-4)14(17)18/h6-9,12,16H,5,10H2,1-4H3
InChIKeyVDCQNHLBGDWTII-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethyl-5,5-dimethyl-8-nitro-2-oxo-3,4-dihydro-1-benzazepin-3-yl)acetamide
CID 67263742
N-(1-ethyl-5,5-dimethyl-8-nitro-2-oxo-3,4-dihydro-1-benzazepin-3-yl)-2,2,2-trifluoroacetamide
CID 86634059
1-ethyl-3-(methylamino)pyrrolidine-2,5-dione
CID 43636114
(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
CID 134967255
2,4-bis[(E)-(1-ethyl-3,3-dimethylindol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 163321760
argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
CID 159405700
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
3,4-bis[(E)-(1-ethyl-3,3-dimethylindol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
CID 177405876
N,4,4-trimethyl-2,3-dihydro-1H-naphthalen-1-amine
CID 43147302
1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile
CID 170110102
22-ethyl-22-azahexacyclo[6.6.6.31,8.02,7.09,14.015,20]tricosa-2,4,6,9,11,13,15,17,19-nonaene-21,23-dione
CID 102027308
3-acetyl-1-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-2-yl)hexane-1,4-dione
CID 172841996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one?
The IUPAC name of 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one (CID 23554449) is 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one?
The canonical SMILES for 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one is CCN1C(=O)C(NC)CC(C)(C)c2ccccc21.
What is the InChIKey of 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one?
The InChIKey is VDCQNHLBGDWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-17-13-9-7-6-8-11(13)15(2,3)10-12(16-4)14(17)18/h6-9,12,16H,5,10H2,1-4H3.
What are the key properties of 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one?
1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 23554449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).