2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide

C17H25N3O — CID 70320378

IUPAC2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc2c(c1)CCN(C1CC1)CC2
InChIInChI=1S/C17H25N3O/c1-17(2,18)16(21)19-14-4-3-12-7-9-20(15-5-6-15)10-8-13(12)11-14/h3-4,11,15H,5-10,18H2,1-2H3,(H,19,21)
InChIKeyGYWJSOQISCEPNY-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide

2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide (PubChem CID 70320378) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
PubChem CID70320378
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc2c(c1)CCN(C1CC1)CC2
InChIInChI=1S/C17H25N3O/c1-17(2,18)16(21)19-14-4-3-12-7-9-20(15-5-6-15)10-8-13(12)11-14/h3-4,11,15H,5-10,18H2,1-2H3,(H,19,21)
InChIKeyGYWJSOQISCEPNY-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-amine
CID 129213634
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)thiophene-3-carboxamide
CID 11472860
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
2-amino-3-(4-hydroxyphenyl)-2-methyl-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propanamide
CID 67458089
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 69183178
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-benzothiophene-3-carboxamide
CID 69180077
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2,5-oxadiazole-3-carboxamide
CID 11738472
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide
CID 11258531
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
CID 115156870
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide (CID 70320378) is 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc2c(c1)CCN(C1CC1)CC2.
What is the InChIKey of 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide?
The InChIKey is GYWJSOQISCEPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,18)16(21)19-14-4-3-12-7-9-20(15-5-6-15)10-8-13(12)11-14/h3-4,11,15H,5-10,18H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide?
2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide has a molecular weight of 287.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyclopropyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-methylpropanamide is sourced from PubChem (CID 70320378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).