2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide

C14H19N3O2 — CID 43446649

IUPAC2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-16-13(18)9-17-12-7-6-11(15)8-10(12)4-3-5-14(17)19/h6-8H,2-5,9,15H2,1H3,(H,16,18)
InChIKeyURYMKDYQMPVFDT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds3

About 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide

2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide (PubChem CID 43446649) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
PubChem CID43446649
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C14H19N3O2/c1-2-16-13(18)9-17-12-7-6-11(15)8-10(12)4-3-5-14(17)19/h6-8H,2-5,9,15H2,1H3,(H,16,18)
InChIKeyURYMKDYQMPVFDT-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide (CID 43446649) is 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide is CCNC(=O)CN1C(=O)CCCc2cc(N)ccc21.
What is the InChIKey of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide?
The InChIKey is URYMKDYQMPVFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-16-13(18)9-17-12-7-6-11(15)8-10(12)4-3-5-14(17)19/h6-8H,2-5,9,15H2,1H3,(H,16,18).
What are the key properties of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide?
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 43446649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).