2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide

C19H23N3O — CID 5331600

IUPAC2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c23-19(15-22-11-5-1-2-6-12-22)21-20-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,21,23)/b20-14+
InChIKeyBCEUJAXXCVCCKX-XSFVSMFZSA-N
MW309.41 g/mol
LogP3.17
Rot. Bonds4

About 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide

2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide (PubChem CID 5331600) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide
PubChem CID5331600
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCCCCC1)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C19H23N3O/c23-19(15-22-11-5-1-2-6-12-22)21-20-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,21,23)/b20-14+
InChIKeyBCEUJAXXCVCCKX-XSFVSMFZSA-N
XLogP3.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide (CID 5331600) is 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide is O=C(CN1CCCCCC1)N/N=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide?
The InChIKey is BCEUJAXXCVCCKX-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(15-22-11-5-1-2-6-12-22)21-20-14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13-14H,1-2,5-6,11-12,15H2,(H,21,23)/b20-14+.
What are the key properties of 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide?
2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide has a molecular weight of 309.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[(E)-naphthalen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5331600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).