2-pentylnaphthalene-1-carboxamide

C16H19NO — CID 154106171

IUPAC2-pentylnaphthalene-1-carboxamide
SMILESCCCCCc1ccc2ccccc2c1C(N)=O
InChIInChI=1S/C16H19NO/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16(17)18/h5-7,9-11H,2-4,8H2,1H3,(H2,17,18)
InChIKeyGSDUPAWUYBBZBS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.67
Rot. Bonds5

About 2-pentylnaphthalene-1-carboxamide

2-pentylnaphthalene-1-carboxamide (PubChem CID 154106171) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-pentylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-pentylnaphthalene-1-carboxamide
PubChem CID154106171
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-pentylnaphthalene-1-carboxamide
SMILESCCCCCc1ccc2ccccc2c1C(N)=O
InChIInChI=1S/C16H19NO/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16(17)18/h5-7,9-11H,2-4,8H2,1H3,(H2,17,18)
InChIKeyGSDUPAWUYBBZBS-UHFFFAOYSA-N
XLogP3.67
TPSA43.09 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 ≤ 53.67
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

2-pentylnaphthalene-1-carboxylic acid
CID 67806914
2-hexadecylnaphthalen-1-amine
CID 57354886
2-undecylnaphthalen-1-ol
CID 139729579
(2-pentylnaphthalen-1-yl)methanamine
CID 57296972
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201
1-ethyl-2-pentylnaphthalene
CID 173391903
2-hexadecylnaphthalene-1-carbaldehyde
CID 141208229
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774

Frequently Asked Questions

What is the IUPAC name of 2-pentylnaphthalene-1-carboxamide?
The IUPAC name of 2-pentylnaphthalene-1-carboxamide (CID 154106171) is 2-pentylnaphthalene-1-carboxamide.
What is the SMILES notation for 2-pentylnaphthalene-1-carboxamide?
The canonical SMILES for 2-pentylnaphthalene-1-carboxamide is CCCCCc1ccc2ccccc2c1C(N)=O.
What is the InChIKey of 2-pentylnaphthalene-1-carboxamide?
The InChIKey is GSDUPAWUYBBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-8-13-11-10-12-7-5-6-9-14(12)15(13)16(17)18/h5-7,9-11H,2-4,8H2,1H3,(H2,17,18).
What are the key properties of 2-pentylnaphthalene-1-carboxamide?
2-pentylnaphthalene-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylnaphthalene-1-carboxamide is sourced from PubChem (CID 154106171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).