N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide

C31H54N2O3 — CID 59961365

IUPACN-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C31H54N2O3/c1-2-3-4-5-6-7-9-12-15-18-21-30(35)32-27-20-17-14-11-8-10-13-16-19-22-31(36)33-28-23-25-29(34)26-24-28/h23-26,34H,2-22,27H2,1H3,(H,32,35)(H,33,36)
InChIKeyDPCKVKFSMOPXRQ-UHFFFAOYSA-N
MW502.78 g/mol
LogP8.66
Rot. Bonds24

About N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide

N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide (PubChem CID 59961365) has the molecular formula C31H54N2O3 and a molecular weight of 502.78 g/mol. Its IUPAC name is N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide.

Molecular Properties

Compound NameN-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
PubChem CID59961365
Molecular FormulaC31H54N2O3
Molecular Weight502.78 g/mol
Exact Mass502.41
IUPAC NameN-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C31H54N2O3/c1-2-3-4-5-6-7-9-12-15-18-21-30(35)32-27-20-17-14-11-8-10-13-16-19-22-31(36)33-28-23-25-29(34)26-24-28/h23-26,34H,2-22,27H2,1H3,(H,32,35)(H,33,36)
InChIKeyDPCKVKFSMOPXRQ-UHFFFAOYSA-N
XLogP8.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.78
LogP ≤ 58.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
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CID 59961331
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide?
The IUPAC name of N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide (CID 59961365) is N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide.
What is the SMILES notation for N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide?
The canonical SMILES for N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide is CCCCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide?
The InChIKey is DPCKVKFSMOPXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54N2O3/c1-2-3-4-5-6-7-9-12-15-18-21-30(35)32-27-20-17-14-11-8-10-13-16-19-22-31(36)33-28-23-25-29(34)26-24-28/h23-26,34H,2-22,27H2,1H3,(H,32,35)(H,33,36).
What are the key properties of N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide?
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide has a molecular weight of 502.78 g/mol, XLogP of 8.66, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide is sourced from PubChem (CID 59961365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).