(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one

C19H28N2O3 — CID 97208900

IUPAC(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCc2ccc(OC)cc2CC1)N1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-3-18(20-10-12-24-13-11-20)19(22)21-8-6-15-4-5-17(23-2)14-16(15)7-9-21/h4-5,14,18H,3,6-13H2,1-2H3/t18-/m1/s1
InChIKeySUDAEFQTKZDJSB-GOSISDBHSA-N
MW332.44 g/mol
LogP1.73
Rot. Bonds4

About (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one

(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one (PubChem CID 97208900) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
PubChem CID97208900
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one
SMILESCC[C@H](C(=O)N1CCc2ccc(OC)cc2CC1)N1CCOCC1
InChIInChI=1S/C19H28N2O3/c1-3-18(20-10-12-24-13-11-20)19(22)21-8-6-15-4-5-17(23-2)14-16(15)7-9-21/h4-5,14,18H,3,6-13H2,1-2H3/t18-/m1/s1
InChIKeySUDAEFQTKZDJSB-GOSISDBHSA-N
XLogP1.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone
CID 84596415
(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[(2S)-4-methylmorpholin-2-yl]methanone
CID 129353319
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456823
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-morpholin-4-ylphenyl)methanone
CID 91789631
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119073274
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)amino]butanoic acid
CID 122022714

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one (CID 97208900) is (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one is CC[C@H](C(=O)N1CCc2ccc(OC)cc2CC1)N1CCOCC1.
What is the InChIKey of (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is SUDAEFQTKZDJSB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-18(20-10-12-24-13-11-20)19(22)21-8-6-15-4-5-17(23-2)14-16(15)7-9-21/h4-5,14,18H,3,6-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one?
(2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 332.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 97208900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).