(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide

C16H24N2O2 — CID 95299825

IUPAC(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide
SMILESCOc1ccc2c(c1)CCCN([C@H](C)C(=O)N(C)C)C2
InChIInChI=1S/C16H24N2O2/c1-12(16(19)17(2)3)18-9-5-6-13-10-15(20-4)8-7-14(13)11-18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyWXHULSJSCXWWCS-GFCCVEGCSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds3

About (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide

(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide (PubChem CID 95299825) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide
PubChem CID95299825
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide
SMILESCOc1ccc2c(c1)CCCN([C@H](C)C(=O)N(C)C)C2
InChIInChI=1S/C16H24N2O2/c1-12(16(19)17(2)3)18-9-5-6-13-10-15(20-4)8-7-14(13)11-18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1
InChIKeyWXHULSJSCXWWCS-GFCCVEGCSA-N
XLogP1.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide with MolForge

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Related Compounds

methyl (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 95294682
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196
2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanoic acid
CID 138003859
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide
CID 86843186
7-methoxy-2-(2-propan-2-ylsulfonylethyl)-1,3,4,5-tetrahydro-2-benzazepine
CID 71977187
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-(5-methyl-1-propan-2-yltriazol-4-yl)methanone
CID 154797046
2-[2-hydroxypropyl(propan-2-yl)amino]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 111107882
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]propanoic acid
CID 61455016
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 10430411

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide (CID 95299825) is (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide is COc1ccc2c(c1)CCCN([C@H](C)C(=O)N(C)C)C2.
What is the InChIKey of (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide?
The InChIKey is WXHULSJSCXWWCS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(16(19)17(2)3)18-9-5-6-13-10-15(20-4)8-7-14(13)11-18/h7-8,10,12H,5-6,9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide?
(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 95299825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).