2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide

C16H25N3O — CID 103983374

IUPAC2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C1CCNCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-12(2)10-19(11-16(17)20)15-7-8-18-9-13-5-3-4-6-14(13)15/h3-6,12,15,18H,7-11H2,1-2H3,(H2,17,20)
InChIKeyWRQPRIBKLAUWAR-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.66
Rot. Bonds5

About 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide

2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide (PubChem CID 103983374) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
PubChem CID103983374
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)C1CCNCc2ccccc21
InChIInChI=1S/C16H25N3O/c1-12(2)10-19(11-16(17)20)15-7-8-18-9-13-5-3-4-6-14(13)15/h3-6,12,15,18H,7-11H2,1-2H3,(H2,17,20)
InChIKeyWRQPRIBKLAUWAR-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dipropyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983115
2-[2-methylpropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 65064011
N-butan-2-yl-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361703
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
N'-ethyl-N,N-dimethyl-N'-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)propane-1,3-diamine
CID 102998669
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939368
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 63939949
N-(2-methylpropyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 65262181
methyl 4-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentanoate
CID 103981137
2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
CID 65262446
N-methyl-N-[(2-methylcyclopropyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361724
N-(4-fluorophenyl)-N-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983396

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide?
The IUPAC name of 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide (CID 103983374) is 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide.
What is the SMILES notation for 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide?
The canonical SMILES for 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide is CC(C)CN(CC(N)=O)C1CCNCc2ccccc21.
What is the InChIKey of 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide?
The InChIKey is WRQPRIBKLAUWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)10-19(11-16(17)20)15-7-8-18-9-13-5-3-4-6-14(13)15/h3-6,12,15,18H,7-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide?
2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]acetamide is sourced from PubChem (CID 103983374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).