N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide

C24H36N2O2 — CID 10110590

IUPACN-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)CN1CCCc2ccccc2C1
InChIInChI=1S/C24H36N2O2/c1-18(2)15-22(25-24(28)20-10-4-3-5-11-20)23(27)17-26-14-8-13-19-9-6-7-12-21(19)16-26/h6-7,9,12,18,20,22H,3-5,8,10-11,13-17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyZKKIKDFIKWSDED-JOCHJYFZSA-N
MW384.56 g/mol
LogP4.12
Rot. Bonds7

About N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide

N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide (PubChem CID 10110590) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide
PubChem CID10110590
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)CN1CCCc2ccccc2C1
InChIInChI=1S/C24H36N2O2/c1-18(2)15-22(25-24(28)20-10-4-3-5-11-20)23(27)17-26-14-8-13-19-9-6-7-12-21(19)16-26/h6-7,9,12,18,20,22H,3-5,8,10-11,13-17H2,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyZKKIKDFIKWSDED-JOCHJYFZSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
CID 10293431
N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
CID 22237923
tert-butyl 4-[[(1S,2R)-2-[[(3S)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]carbamoyl]cyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 10189132
N-[(1S,2R)-2-[[(3S)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]carbamoyl]cyclohexyl]-4-(trifluoromethyl)benzamide
CID 10120725
benzyl N-[(2S)-4-methyl-1-[[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 23531837
N-[(1S,2R)-2-[[(3S)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]carbamoyl]cyclohexyl]quinoxaline-2-carboxamide
CID 10120239
N-[(1S,2R)-2-[[(3S)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]carbamoyl]cyclohexyl]-2-methylsulfanylpyridine-3-carboxamide
CID 10166155
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
CID 20791351
N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 22422546
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-one
CID 63152667
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide (CID 10110590) is N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide is CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)CN1CCCc2ccccc2C1.
What is the InChIKey of N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide?
The InChIKey is ZKKIKDFIKWSDED-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18(2)15-22(25-24(28)20-10-4-3-5-11-20)23(27)17-26-14-8-13-19-9-6-7-12-21(19)16-26/h6-7,9,12,18,20,22H,3-5,8,10-11,13-17H2,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide?
N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 10110590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).