1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one

C20H23NO — CID 102400070

IUPAC1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
SMILESCC1Cc2ccccc2N(Cc2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C20H23NO/c1-15-13-17-11-7-8-12-18(17)21(19(22)20(15,2)3)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyQNSRSPKLAWUVAA-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.44
Rot. Bonds2

About 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one

1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one (PubChem CID 102400070) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one.

Molecular Properties

Compound Name1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
PubChem CID102400070
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one
SMILESCC1Cc2ccccc2N(Cc2ccccc2)C(=O)C1(C)C
InChIInChI=1S/C20H23NO/c1-15-13-17-11-7-8-12-18(17)21(19(22)20(15,2)3)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyQNSRSPKLAWUVAA-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 132554346
(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide
CID 101469872
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1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
1-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365317
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(3R)-3-amino-1-benzyl-4-bromo-3-methylindol-2-one
CID 57379288
1-benzyl-3-(2-bromoethyl)-3-methylindol-2-one
CID 166448944
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
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CID 7036178

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one?
The IUPAC name of 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one (CID 102400070) is 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one.
What is the SMILES notation for 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one?
The canonical SMILES for 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one is CC1Cc2ccccc2N(Cc2ccccc2)C(=O)C1(C)C.
What is the InChIKey of 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one?
The InChIKey is QNSRSPKLAWUVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-15-13-17-11-7-8-12-18(17)21(19(22)20(15,2)3)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one?
1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one has a molecular weight of 293.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3,4-trimethyl-4,5-dihydro-1-benzazepin-2-one is sourced from PubChem (CID 102400070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).