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

C24H36N2O2 — CID 22237923

IUPACN-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)CN1CCCCc2ccccc21
InChIInChI=1S/C24H36N2O2/c1-18(2)16-21(25-24(28)20-12-4-3-5-13-20)23(27)17-26-15-9-8-11-19-10-6-7-14-22(19)26/h6-7,10,14,18,20-21H,3-5,8-9,11-13,15-17H2,1-2H3,(H,25,28)
InChIKeyHHFPTPZFEWWBMJ-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.51
Rot. Bonds7

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

N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide (PubChem CID 22237923) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
PubChem CID22237923
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)CN1CCCCc2ccccc21
InChIInChI=1S/C24H36N2O2/c1-18(2)16-21(25-24(28)20-12-4-3-5-13-20)23(27)17-26-15-9-8-11-19-10-6-7-14-22(19)26/h6-7,10,14,18,20-21H,3-5,8-9,11-13,15-17H2,1-2H3,(H,25,28)
InChIKeyHHFPTPZFEWWBMJ-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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-[(3R)-5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]cyclohexanecarboxamide
CID 10110590
N-[(3S)-5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]-4-phenylmethoxybenzamide
CID 10227922
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)hexan-3-yl]cyclohexanecarboxamide
CID 20791351
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]cyclohexanecarboxamide
CID 22422546
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
2-cyclohexyl-N-[1-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 86876277

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide (CID 22237923) is N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide is CC(C)CC(NC(=O)C1CCCCC1)C(=O)CN1CCCCc2ccccc21.
What is the InChIKey of N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide?
The InChIKey is HHFPTPZFEWWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-18(2)16-21(25-24(28)20-12-4-3-5-13-20)23(27)17-26-15-9-8-11-19-10-6-7-14-22(19)26/h6-7,10,14,18,20-21H,3-5,8-9,11-13,15-17H2,1-2H3,(H,25,28).
What are the key properties of N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide?
N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 22237923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).