N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide

C26H24N2O2 — CID 101181857

IUPACN-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H24N2O2/c29-25(23-13-11-19-7-1-3-9-21(19)17-23)27-15-5-6-16-28-26(30)24-14-12-20-8-2-4-10-22(20)18-24/h1-4,7-14,17-18H,5-6,15-16H2,(H,27,29)(H,28,30)
InChIKeyJFZSOHSBXCDVRM-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.93
Rot. Bonds7

About N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide (PubChem CID 101181857) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
PubChem CID101181857
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC NameN-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
SMILESO=C(NCCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C26H24N2O2/c29-25(23-13-11-19-7-1-3-9-21(19)17-23)27-15-5-6-16-28-26(30)24-14-12-20-8-2-4-10-22(20)18-24/h1-4,7-14,17-18H,5-6,15-16H2,(H,27,29)(H,28,30)
InChIKeyJFZSOHSBXCDVRM-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-propylnaphthalene-2-carboxamide
CID 6624536
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
CID 161474898
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide (CID 101181857) is N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide is O=C(NCCCCNC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide?
The InChIKey is JFZSOHSBXCDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c29-25(23-13-11-19-7-1-3-9-21(19)17-23)27-15-5-6-16-28-26(30)24-14-12-20-8-2-4-10-22(20)18-24/h1-4,7-14,17-18H,5-6,15-16H2,(H,27,29)(H,28,30).
What are the key properties of N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide?
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide is sourced from PubChem (CID 101181857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).