N-(pyren-1-ylmethyl)hexanamide

C23H23NO — CID 146294504

IUPACN-(pyren-1-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H23NO/c1-2-3-4-8-21(25)24-15-19-12-11-18-10-9-16-6-5-7-17-13-14-20(19)23(18)22(16)17/h5-7,9-14H,2-4,8,15H2,1H3,(H,24,25)
InChIKeyWQFMRUKZYDFYCF-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.78
Rot. Bonds6

About N-(pyren-1-ylmethyl)hexanamide

N-(pyren-1-ylmethyl)hexanamide (PubChem CID 146294504) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(pyren-1-ylmethyl)hexanamide.

Molecular Properties

Compound NameN-(pyren-1-ylmethyl)hexanamide
PubChem CID146294504
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC NameN-(pyren-1-ylmethyl)hexanamide
SMILESCCCCCC(=O)NCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H23NO/c1-2-3-4-8-21(25)24-15-19-12-11-18-10-9-16-6-5-7-17-13-14-20(19)23(18)22(16)17/h5-7,9-14H,2-4,8,15H2,1H3,(H,24,25)
InChIKeyWQFMRUKZYDFYCF-UHFFFAOYSA-N
XLogP5.78
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 ≤ 55.78
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-(4-pyren-1-ylbutyl)hexanamide
CID 173264566
4-pyren-1-yl-N-tetradecylbutanamide
CID 100986528
N-propyl-2-pyren-1-ylacetamide
CID 139212800
N-prop-2-ynyl-5-pyren-1-ylpentanamide
CID 102019675
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787
6-[(2-pyren-1-ylacetyl)amino]hexanoic acid
CID 102366960
(Z)-N-pyren-1-yloctadec-9-enamide
CID 20836180
1-hexadecylpyrene
CID 12966317
N-[2,2-bis(hydroxymethyl)-3-(4-pyren-1-ylbutanoylamino)propyl]-4-pyren-1-ylbutanamide
CID 71346710
8-[[11-(2,5-dioxopyrrol-1-yl)-8-oxoundecyl]disulfanyl]-N-(pyren-1-ylmethyl)octanamide
CID 158966160
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[2-[2-[[3-(hexadecanoylamino)-2-[[12-oxo-12-(pyren-1-ylmethylamino)dodecanoyl]amino]propanoyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101226708

Frequently Asked Questions

What is the IUPAC name of N-(pyren-1-ylmethyl)hexanamide?
The IUPAC name of N-(pyren-1-ylmethyl)hexanamide (CID 146294504) is N-(pyren-1-ylmethyl)hexanamide.
What is the SMILES notation for N-(pyren-1-ylmethyl)hexanamide?
The canonical SMILES for N-(pyren-1-ylmethyl)hexanamide is CCCCCC(=O)NCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-(pyren-1-ylmethyl)hexanamide?
The InChIKey is WQFMRUKZYDFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-3-4-8-21(25)24-15-19-12-11-18-10-9-16-6-5-7-17-13-14-20(19)23(18)22(16)17/h5-7,9-14H,2-4,8,15H2,1H3,(H,24,25).
What are the key properties of N-(pyren-1-ylmethyl)hexanamide?
N-(pyren-1-ylmethyl)hexanamide has a molecular weight of 329.44 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyren-1-ylmethyl)hexanamide is sourced from PubChem (CID 146294504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).