N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide

C21H32N2O3 — CID 101032616

IUPACN-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H32N2O3/c1-17(2)21(26)22-16-10-8-6-4-3-5-7-9-11-20(25)23-18-12-14-19(24)15-13-18/h12-15,24H,1,3-11,16H2,2H3,(H,22,26)(H,23,25)
InChIKeyHETAQDTUAUOKRO-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.53
Rot. Bonds13

About N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide

N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide (PubChem CID 101032616) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
PubChem CID101032616
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C21H32N2O3/c1-17(2)21(26)22-16-10-8-6-4-3-5-7-9-11-20(25)23-18-12-14-19(24)15-13-18/h12-15,24H,1,3-11,16H2,2H3,(H,22,26)(H,23,25)
InChIKeyHETAQDTUAUOKRO-UHFFFAOYSA-N
XLogP4.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.53
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-(4-hydroxyphenyl)-8-(octadecylcarbamoylamino)octanamide
CID 59961331
11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide
CID 102065939
N-(4-benzoylphenyl)-4-(2-methylprop-2-enoylamino)butanamide
CID 141452779
6-(2-oxopropanoylamino)-N-phenylhexanamide
CID 162677801
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
7-[(4-hydroxyphenyl)carbamoylamino]-2-methylideneheptanoic acid
CID 54195000
7-(2-methylprop-2-enoylamino)-N-propan-2-ylheptanamide
CID 88906929
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide?
The IUPAC name of N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide (CID 101032616) is N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide is C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide?
The InChIKey is HETAQDTUAUOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-17(2)21(26)22-16-10-8-6-4-3-5-7-9-11-20(25)23-18-12-14-19(24)15-13-18/h12-15,24H,1,3-11,16H2,2H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide?
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide has a molecular weight of 360.50 g/mol, XLogP of 4.53, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide is sourced from PubChem (CID 101032616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).