1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone

C23H28N2O2 — CID 75449124

IUPAC1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
SMILESCOc1ccc(C2(CNC3CCN(C(C)=O)Cc4ccccc43)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(26)25-14-11-22(21-6-4-3-5-18(21)15-25)24-16-23(12-13-23)19-7-9-20(27-2)10-8-19/h3-10,22,24H,11-16H2,1-2H3
InChIKeyRCKPVUZUFKPCHP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.81
Rot. Bonds5

About 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone

1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone (PubChem CID 75449124) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
PubChem CID75449124
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
SMILESCOc1ccc(C2(CNC3CCN(C(C)=O)Cc4ccccc43)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(26)25-14-11-22(21-6-4-3-5-18(21)15-25)24-16-23(12-13-23)19-7-9-20(27-2)10-8-19/h3-10,22,24H,11-16H2,1-2H3
InChIKeyRCKPVUZUFKPCHP-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone with MolForge

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 139002121
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
1-[5-(4-methylsulfanylanilino)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 167823778
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
N-[1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]piperidin-4-yl]propanamide
CID 92585557
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone?
The IUPAC name of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone (CID 75449124) is 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone?
The canonical SMILES for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone is COc1ccc(C2(CNC3CCN(C(C)=O)Cc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone?
The InChIKey is RCKPVUZUFKPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(26)25-14-11-22(21-6-4-3-5-18(21)15-25)24-16-23(12-13-23)19-7-9-20(27-2)10-8-19/h3-10,22,24H,11-16H2,1-2H3.
What are the key properties of 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone?
1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone has a molecular weight of 364.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[1-(4-methoxyphenyl)cyclopropyl]methylamino]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone is sourced from PubChem (CID 75449124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).