N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide

C22H28N2O2 — CID 56643327

IUPACN-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide
SMILESCCCCCN1CCCCC(NC(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C22H28N2O2/c1-2-3-7-14-24-15-8-6-11-20(22(24)26)23-21(25)19-13-12-17-9-4-5-10-18(17)16-19/h4-5,9-10,12-13,16,20H,2-3,6-8,11,14-15H2,1H3,(H,23,25)
InChIKeyJYRAMJQQZVGAIK-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.14
Rot. Bonds6

About N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide

N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide (PubChem CID 56643327) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide
PubChem CID56643327
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide
SMILESCCCCCN1CCCCC(NC(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C22H28N2O2/c1-2-3-7-14-24-15-8-6-11-20(22(24)26)23-21(25)19-13-12-17-9-4-5-10-18(17)16-19/h4-5,9-10,12-13,16,20H,2-3,6-8,11,14-15H2,1H3,(H,23,25)
InChIKeyJYRAMJQQZVGAIK-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide (CID 56643327) is N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide is CCCCCN1CCCCC(NC(=O)c2ccc3ccccc3c2)C1=O.
What is the InChIKey of N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide?
The InChIKey is JYRAMJQQZVGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-3-7-14-24-15-8-6-11-20(22(24)26)23-21(25)19-13-12-17-9-4-5-10-18(17)16-19/h4-5,9-10,12-13,16,20H,2-3,6-8,11,14-15H2,1H3,(H,23,25).
What are the key properties of N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide?
N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-pentylazepan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 56643327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).