N-dodecylnaphthalene-1-carboxamide

C23H33NO — CID 4278758

IUPACN-dodecylnaphthalene-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-13-19-24-23(25)22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,2-10,13,19H2,1H3,(H,24,25)
InChIKeyGQPOXVAWWYNKRG-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.49
Rot. Bonds12

About N-dodecylnaphthalene-1-carboxamide

N-dodecylnaphthalene-1-carboxamide (PubChem CID 4278758) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is N-dodecylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-dodecylnaphthalene-1-carboxamide
PubChem CID4278758
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC NameN-dodecylnaphthalene-1-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-13-19-24-23(25)22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,2-10,13,19H2,1H3,(H,24,25)
InChIKeyGQPOXVAWWYNKRG-UHFFFAOYSA-N
XLogP6.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.49
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-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
N-hexylpyrene-1-carboxamide
CID 15111775
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-chloro-N-undecylbenzamide
CID 3373978
N-hexyl-2-methylbenzamide
CID 3017102
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
butyl N-[2-(naphthalene-1-carbonylamino)ethyl]carbamate
CID 108573171

Frequently Asked Questions

What is the IUPAC name of N-dodecylnaphthalene-1-carboxamide?
The IUPAC name of N-dodecylnaphthalene-1-carboxamide (CID 4278758) is N-dodecylnaphthalene-1-carboxamide.
What is the SMILES notation for N-dodecylnaphthalene-1-carboxamide?
The canonical SMILES for N-dodecylnaphthalene-1-carboxamide is CCCCCCCCCCCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-dodecylnaphthalene-1-carboxamide?
The InChIKey is GQPOXVAWWYNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-2-3-4-5-6-7-8-9-10-13-19-24-23(25)22-18-14-16-20-15-11-12-17-21(20)22/h11-12,14-18H,2-10,13,19H2,1H3,(H,24,25).
What are the key properties of N-dodecylnaphthalene-1-carboxamide?
N-dodecylnaphthalene-1-carboxamide has a molecular weight of 339.52 g/mol, XLogP of 6.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylnaphthalene-1-carboxamide is sourced from PubChem (CID 4278758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).