N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide

C33H46N2O3 — CID 171981229

IUPACN-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCCCCCCCC)cc1-2
InChIInChI=1S/C33H46N2O3/c1-3-5-7-9-11-13-15-17-31(36)34-25-20-22-28-29(23-25)27-21-19-26(24-30(27)33(28)38)35-32(37)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyVQXHAQDEOSQFJL-UHFFFAOYSA-N
MW518.74 g/mol
LogP9.06
Rot. Bonds18

About N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide

N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide (PubChem CID 171981229) has the molecular formula C33H46N2O3 and a molecular weight of 518.74 g/mol. Its IUPAC name is N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide.

Molecular Properties

Compound NameN-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
PubChem CID171981229
Molecular FormulaC33H46N2O3
Molecular Weight518.74 g/mol
Exact Mass518.35
IUPAC NameN-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCCCCCCCC)cc1-2
InChIInChI=1S/C33H46N2O3/c1-3-5-7-9-11-13-15-17-31(36)34-25-20-22-28-29(23-25)27-21-19-26(24-30(27)33(28)38)35-32(37)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyVQXHAQDEOSQFJL-UHFFFAOYSA-N
XLogP9.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.74
LogP ≤ 59.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
3-(dibutylamino)-N-[6-[3-(dibutylamino)propanoylamino]-9,10-dioxoanthracen-2-yl]propanamide
CID 54263970
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(3-bromophenyl)heptanamide
CID 4596383
2-[5-(octanoylamino)-1,3-dioxoisoindol-2-yl]-3-phenylpropanoic acid
CID 76703678
N-(4-acetamidophenyl)hexanamide
CID 4953736
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-fluoro-4-hydroxyphenyl)decanamide
CID 65426538
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[(2E)-2-(ethoxymethylidene)-1,1,3-trioxo-1-benzothiophen-5-yl]decanamide
CID 20655017

Frequently Asked Questions

What is the IUPAC name of N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide?
The IUPAC name of N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide (CID 171981229) is N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide.
What is the SMILES notation for N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide?
The canonical SMILES for N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide is CCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCCCCCCCC)cc1-2.
What is the InChIKey of N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide?
The InChIKey is VQXHAQDEOSQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N2O3/c1-3-5-7-9-11-13-15-17-31(36)34-25-20-22-28-29(23-25)27-21-19-26(24-30(27)33(28)38)35-32(37)18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide?
N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide has a molecular weight of 518.74 g/mol, XLogP of 9.06, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(decanoylamino)-9-oxofluoren-2-yl]decanamide is sourced from PubChem (CID 171981229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).