N-hexylpyrene-1-carboxamide

C23H23NO — CID 15111775

IUPACN-hexylpyrene-1-carboxamide
SMILESCCCCCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H23NO/c1-2-3-4-5-15-24-23(25)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)22(18)21(16)17/h6-14H,2-5,15H2,1H3,(H,24,25)
InChIKeyLINIGFLZIUNZRH-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.89
Rot. Bonds6

About N-hexylpyrene-1-carboxamide

N-hexylpyrene-1-carboxamide (PubChem CID 15111775) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-hexylpyrene-1-carboxamide.

Molecular Properties

Compound NameN-hexylpyrene-1-carboxamide
PubChem CID15111775
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-hexylpyrene-1-carboxamide
SMILESCCCCCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H23NO/c1-2-3-4-5-15-24-23(25)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)22(18)21(16)17/h6-14H,2-5,15H2,1H3,(H,24,25)
InChIKeyLINIGFLZIUNZRH-UHFFFAOYSA-N
XLogP5.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-dodecylnaphthalene-1-carboxamide
CID 4278758
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
1-octadecyl-3-pyren-1-ylurea
CID 23346897
8-(pentylcarbamoyl)naphthalene-1-carboxylic acid
CID 4638443
4-pyren-1-yl-N-tetradecylbutanamide
CID 100986528
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
2,3-dimethyl-N-octadecylbenzamide
CID 174462915
4,8-bis(dodecylcarbamoyl)naphthalene-1,5-dicarboxylic acid
CID 58489306
5,8-bis(hexylcarbamoyl)naphthalene-1,4-dicarboxylic acid
CID 69296098
N-(4-pyren-1-ylbutyl)hexanamide
CID 173264566
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040

Frequently Asked Questions

What is the IUPAC name of N-hexylpyrene-1-carboxamide?
The IUPAC name of N-hexylpyrene-1-carboxamide (CID 15111775) is N-hexylpyrene-1-carboxamide.
What is the SMILES notation for N-hexylpyrene-1-carboxamide?
The canonical SMILES for N-hexylpyrene-1-carboxamide is CCCCCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-hexylpyrene-1-carboxamide?
The InChIKey is LINIGFLZIUNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-3-4-5-15-24-23(25)20-14-12-18-10-9-16-7-6-8-17-11-13-19(20)22(18)21(16)17/h6-14H,2-5,15H2,1H3,(H,24,25).
What are the key properties of N-hexylpyrene-1-carboxamide?
N-hexylpyrene-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylpyrene-1-carboxamide is sourced from PubChem (CID 15111775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).