1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one

C18H24N2O3 — CID 95290497

IUPAC1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[C@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@@H](C)CO1
InChIInChI=1S/C18H24N2O3/c1-13-12-23-14(2)10-19(13)18(22)11-20-16-8-4-3-6-15(16)7-5-9-17(20)21/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJZOMRIUSLFUYLS-KBPBESRZSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds2

About 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 95290497) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID95290497
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESC[C@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@@H](C)CO1
InChIInChI=1S/C18H24N2O3/c1-13-12-23-14(2)10-19(13)18(22)11-20-16-8-4-3-6-15(16)7-5-9-17(20)21/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3/t13-,14-/m0/s1
InChIKeyJZOMRIUSLFUYLS-KBPBESRZSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
CID 51081736
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
1-(2-oxo-2-piperazin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride
CID 119403364
(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid
CID 167863130
4-[3-(2,5-dimethylmorpholin-4-yl)-3-oxopropyl]-2-methyl-1,4-benzoxazin-3-one
CID 75807562
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799
4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216911
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 46276063
tert-butyl 2-(2-oxo-3,4,5,6-tetrahydro-1-benzazocin-1-yl)acetate
CID 143520690
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 72899750

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 95290497) is 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one is C[C@H]1CN(C(=O)CN2C(=O)CCCc3ccccc32)[C@@H](C)CO1.
What is the InChIKey of 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is JZOMRIUSLFUYLS-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-12-23-14(2)10-19(13)18(22)11-20-16-8-4-3-6-15(16)7-5-9-17(20)21/h3-4,6,8,13-14H,5,7,9-12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 95290497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).