N-(3-aminopropyl)naphthalene-2-carboxamide

C14H16N2O — CID 24691516

IUPACN-(3-aminopropyl)naphthalene-2-carboxamide
SMILESNCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,15H2,(H,16,17)
InChIKeyZUFSXRQAGVDIJE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.92
Rot. Bonds4

About N-(3-aminopropyl)naphthalene-2-carboxamide

N-(3-aminopropyl)naphthalene-2-carboxamide (PubChem CID 24691516) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-aminopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)naphthalene-2-carboxamide
PubChem CID24691516
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-(3-aminopropyl)naphthalene-2-carboxamide
SMILESNCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,15H2,(H,16,17)
InChIKeyZUFSXRQAGVDIJE-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.92
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-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[4-(4-aminophenyl)-4-oxobutyl]naphthalene-2-carboxamide
CID 161474898
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)naphthalene-2-carboxamide (CID 24691516) is N-(3-aminopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)naphthalene-2-carboxamide is NCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-aminopropyl)naphthalene-2-carboxamide?
The InChIKey is ZUFSXRQAGVDIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-8-3-9-16-14(17)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10H,3,8-9,15H2,(H,16,17).
What are the key properties of N-(3-aminopropyl)naphthalene-2-carboxamide?
N-(3-aminopropyl)naphthalene-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 24691516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).