N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide

C14H21N3O — CID 103981826

IUPACN-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCNCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-10(14(18)15-2)17-13-7-8-16-9-11-5-3-4-6-12(11)13/h3-6,10,13,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyIEONGWSJTMZEMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide

N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide (PubChem CID 103981826) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
PubChem CID103981826
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide
SMILESCNC(=O)C(C)NC1CCNCc2ccccc21
InChIInChI=1S/C14H21N3O/c1-10(14(18)15-2)17-13-7-8-16-9-11-5-3-4-6-12(11)13/h3-6,10,13,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyIEONGWSJTMZEMY-UHFFFAOYSA-N
XLogP0.95
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
methyl 4-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentanoate
CID 103981137
1-N,1-N-dimethyl-3-N-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)butane-1,3-diamine
CID 103981868
N-[1-(3-bromophenyl)ethyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981009
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
2,4-dimethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentan-2-ol
CID 103982395
N-[4-(furan-2-yl)butan-2-yl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980736
3-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)cyclobutan-1-ol
CID 103982387
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 60780698
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982717

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide?
The IUPAC name of N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide (CID 103981826) is N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide.
What is the SMILES notation for N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide?
The canonical SMILES for N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide is CNC(=O)C(C)NC1CCNCc2ccccc21.
What is the InChIKey of N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide?
The InChIKey is IEONGWSJTMZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(14(18)15-2)17-13-7-8-16-9-11-5-3-4-6-12(11)13/h3-6,10,13,16-17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide?
N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide has a molecular weight of 247.34 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)propanamide is sourced from PubChem (CID 103981826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).