[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C20H30N2O2 — CID 166285354

IUPAC[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)C1CCC(N(C)C)CC1)CC2
InChIInChI=1S/C20H30N2O2/c1-21(2)17-9-7-16(8-10-17)20(23)22-13-11-15-5-4-6-19(24-3)18(15)12-14-22/h4-6,16-17H,7-14H2,1-3H3
InChIKeyOGAMFERPSCRBHH-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.74
Rot. Bonds3

About [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 166285354) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID166285354
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESCOc1cccc2c1CCN(C(=O)C1CCC(N(C)C)CC1)CC2
InChIInChI=1S/C20H30N2O2/c1-21(2)17-9-7-16(8-10-17)20(23)22-13-11-15-5-4-6-19(24-3)18(15)12-14-22/h4-6,16-17H,7-14H2,1-3H3
InChIKeyOGAMFERPSCRBHH-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone with MolForge

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Related Compounds

(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 126807140
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
N-[(1R)-1-cyclopropyl-2-methoxyethyl]-6-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 99841570
cyclopropyl-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 110667876
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
8-methoxy-N-spiro[2.5]octan-6-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154746108
6-methoxy-N-[2-[(2S,4S)-2-methyloxan-4-yl]ethyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124733276
(2-bromo-6-methoxyphenyl)-[3-(dimethylamino)azetidin-1-yl]methanone
CID 172646795
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
N-[(2R,6R)-2,6-dimethyloxan-4-yl]-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97349930
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 166285354) is [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is COc1cccc2c1CCN(C(=O)C1CCC(N(C)C)CC1)CC2.
What is the InChIKey of [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is OGAMFERPSCRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-21(2)17-9-7-16(8-10-17)20(23)22-13-11-15-5-4-6-19(24-3)18(15)12-14-22/h4-6,16-17H,7-14H2,1-3H3.
What are the key properties of [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 330.47 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 166285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).