5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide

C19H28N2O2 — CID 97305910

IUPAC5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCC[C@H](C)c2ccccc21
InChIInChI=1S/C19H28N2O2/c1-3-13-20-18(22)11-6-12-19(23)21-14-7-8-15(2)16-9-4-5-10-17(16)21/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeySJKWPUQIZADFHP-HNNXBMFYSA-N
MW316.45 g/mol
LogP3.61
Rot. Bonds6

About 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide

5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide (PubChem CID 97305910) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide.

Molecular Properties

Compound Name5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
PubChem CID97305910
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide
SMILESCCCNC(=O)CCCC(=O)N1CCC[C@H](C)c2ccccc21
InChIInChI=1S/C19H28N2O2/c1-3-13-20-18(22)11-6-12-19(23)21-14-7-8-15(2)16-9-4-5-10-17(16)21/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeySJKWPUQIZADFHP-HNNXBMFYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide with MolForge

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Related Compounds

1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-1-one
CID 104537335
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
2-(ethylamino)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 113266315
1-[(5R)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 97353453
1-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 97353454
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860
4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-propylbutanamide
CID 20899630
3-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-1,3-thiazolidin-2-one
CID 51983418
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 75456510
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889

Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide?
The IUPAC name of 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide (CID 97305910) is 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide.
What is the SMILES notation for 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide?
The canonical SMILES for 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide is CCCNC(=O)CCCC(=O)N1CCC[C@H](C)c2ccccc21.
What is the InChIKey of 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide?
The InChIKey is SJKWPUQIZADFHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-13-20-18(22)11-6-12-19(23)21-14-7-8-15(2)16-9-4-5-10-17(16)21/h4-5,9-10,15H,3,6-8,11-14H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide?
5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide has a molecular weight of 316.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-5-oxo-N-propylpentanamide is sourced from PubChem (CID 97305910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).