7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide

C17H25N3O2 — CID 119775274

IUPAC7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C17H25N3O2/c18-11-4-2-1-3-7-16(21)19-14-9-10-15-13(12-14)6-5-8-17(22)20-15/h9-10,12H,1-8,11,18H2,(H,19,21)(H,20,22)
InChIKeyDLMYUMWIQWRGRC-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.81
Rot. Bonds7

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

7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide (PubChem CID 119775274) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
PubChem CID119775274
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2
InChIInChI=1S/C17H25N3O2/c18-11-4-2-1-3-7-16(21)19-14-9-10-15-13(12-14)6-5-8-17(22)20-15/h9-10,12H,1-8,11,18H2,(H,19,21)(H,20,22)
InChIKeyDLMYUMWIQWRGRC-UHFFFAOYSA-N
XLogP2.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)heptanamide;hydrochloride
CID 119788407
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
4-(aminomethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxane-4-carboxamide
CID 120931223
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
4-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoylamino]butanoic acid
CID 122079384
3-(ethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 62832872
7-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]heptanamide;hydrochloride
CID 119729777

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide?
The IUPAC name of 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide (CID 119775274) is 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide?
The canonical SMILES for 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide is NCCCCCCC(=O)Nc1ccc2c(c1)CCCC(=O)N2.
What is the InChIKey of 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide?
The InChIKey is DLMYUMWIQWRGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-11-4-2-1-3-7-16(21)19-14-9-10-15-13(12-14)6-5-8-17(22)20-15/h9-10,12H,1-8,11,18H2,(H,19,21)(H,20,22).
What are the key properties of 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide?
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide has a molecular weight of 303.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide is sourced from PubChem (CID 119775274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).