3-(2-amino-N-propylanilino)azepan-2-one

C15H23N3O — CID 63230674

IUPAC3-(2-amino-N-propylanilino)azepan-2-one
SMILESCCCN(c1ccccc1N)C1CCCCNC1=O
InChIInChI=1S/C15H23N3O/c1-2-11-18(13-8-4-3-7-12(13)16)14-9-5-6-10-17-15(14)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyWGHLXAQFFQNTBS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.15
Rot. Bonds4

About 3-(2-amino-N-propylanilino)azepan-2-one

3-(2-amino-N-propylanilino)azepan-2-one (PubChem CID 63230674) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-amino-N-propylanilino)azepan-2-one.

Molecular Properties

Compound Name3-(2-amino-N-propylanilino)azepan-2-one
PubChem CID63230674
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2-amino-N-propylanilino)azepan-2-one
SMILESCCCN(c1ccccc1N)C1CCCCNC1=O
InChIInChI=1S/C15H23N3O/c1-2-11-18(13-8-4-3-7-12(13)16)14-9-5-6-10-17-15(14)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeyWGHLXAQFFQNTBS-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.15
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 3-(2-amino-N-propylanilino)azepan-2-one?
The IUPAC name of 3-(2-amino-N-propylanilino)azepan-2-one (CID 63230674) is 3-(2-amino-N-propylanilino)azepan-2-one.
What is the SMILES notation for 3-(2-amino-N-propylanilino)azepan-2-one?
The canonical SMILES for 3-(2-amino-N-propylanilino)azepan-2-one is CCCN(c1ccccc1N)C1CCCCNC1=O.
What is the InChIKey of 3-(2-amino-N-propylanilino)azepan-2-one?
The InChIKey is WGHLXAQFFQNTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11-18(13-8-4-3-7-12(13)16)14-9-5-6-10-17-15(14)19/h3-4,7-8,14H,2,5-6,9-11,16H2,1H3,(H,17,19).
What are the key properties of 3-(2-amino-N-propylanilino)azepan-2-one?
3-(2-amino-N-propylanilino)azepan-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-propylanilino)azepan-2-one is sourced from PubChem (CID 63230674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).