N-pentylnaphthalene-2-carboxamide

C16H19NO — CID 91722098

IUPACN-pentylnaphthalene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-2-3-6-11-17-16(18)15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,17,18)
InChIKeyYREDFZUBMGMFLJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.76
Rot. Bonds5

About N-pentylnaphthalene-2-carboxamide

N-pentylnaphthalene-2-carboxamide (PubChem CID 91722098) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-pentylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-pentylnaphthalene-2-carboxamide
PubChem CID91722098
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-pentylnaphthalene-2-carboxamide
SMILESCCCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-2-3-6-11-17-16(18)15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,17,18)
InChIKeyYREDFZUBMGMFLJ-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-propylnaphthalene-2-carboxamide
CID 6624536
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573841
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-octylquinoline-6-carboxamide
CID 68863650

Frequently Asked Questions

What is the IUPAC name of N-pentylnaphthalene-2-carboxamide?
The IUPAC name of N-pentylnaphthalene-2-carboxamide (CID 91722098) is N-pentylnaphthalene-2-carboxamide.
What is the SMILES notation for N-pentylnaphthalene-2-carboxamide?
The canonical SMILES for N-pentylnaphthalene-2-carboxamide is CCCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-pentylnaphthalene-2-carboxamide?
The InChIKey is YREDFZUBMGMFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-6-11-17-16(18)15-10-9-13-7-4-5-8-14(13)12-15/h4-5,7-10,12H,2-3,6,11H2,1H3,(H,17,18).
What are the key properties of N-pentylnaphthalene-2-carboxamide?
N-pentylnaphthalene-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylnaphthalene-2-carboxamide is sourced from PubChem (CID 91722098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).