N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide

C17H27N3O — CID 114336292

IUPACN-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
SMILESCNC1CCCN(CC(=O)N(C)C(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(2)19(4)17(21)12-20-11-7-9-15(18-3)14-8-5-6-10-16(14)20/h5-6,8,10,13,15,18H,7,9,11-12H2,1-4H3
InChIKeyOEIIAPRAKYUPAK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide

N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide (PubChem CID 114336292) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
PubChem CID114336292
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide
SMILESCNC1CCCN(CC(=O)N(C)C(C)C)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-13(2)19(4)17(21)12-20-11-7-9-15(18-3)14-8-5-6-10-16(14)20/h5-6,8,10,13,15,18H,7,9,11-12H2,1-4H3
InChIKeyOEIIAPRAKYUPAK-UHFFFAOYSA-N
XLogP2.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]acetamide
CID 114336281
1-ethyl-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336204
N-methyl-1-propyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336172
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
N-methyl-1-propan-2-ylsulfonyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335951
2-methyl-4-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]butan-2-ol
CID 114336322
2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylpropanamide
CID 114336316
1-[2-(2-methoxyethoxy)ethyl]-N-methyl-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114336239
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270
5-(methylamino)-N-propyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 114335860

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide (CID 114336292) is N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide is CNC1CCCN(CC(=O)N(C)C(C)C)c2ccccc21.
What is the InChIKey of N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is OEIIAPRAKYUPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)19(4)17(21)12-20-11-7-9-15(18-3)14-8-5-6-10-16(14)20/h5-6,8,10,13,15,18H,7,9,11-12H2,1-4H3.
What are the key properties of N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide?
N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 114336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).