N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide

C34H60N2O4 — CID 15131759

IUPACN-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
SMILESCCCCCCCCCCCCNC(=O)Cc1cc(O)c(CC(=O)NCCCCCCCCCCCC)cc1O
InChIInChI=1S/C34H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-35-33(39)27-29-25-32(38)30(26-31(29)37)28-34(40)36-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,37-38H,3-24,27-28H2,1-2H3,(H,35,39)(H,36,40)
InChIKeyOTUAORSRUXDWAE-UHFFFAOYSA-N
MW560.86 g/mol
LogP8.26
Rot. Bonds26

About N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide

N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide (PubChem CID 15131759) has the molecular formula C34H60N2O4 and a molecular weight of 560.86 g/mol. Its IUPAC name is N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
PubChem CID15131759
Molecular FormulaC34H60N2O4
Molecular Weight560.86 g/mol
Exact Mass560.46
IUPAC NameN-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide
SMILESCCCCCCCCCCCCNC(=O)Cc1cc(O)c(CC(=O)NCCCCCCCCCCCC)cc1O
InChIInChI=1S/C34H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-35-33(39)27-29-25-32(38)30(26-31(29)37)28-34(40)36-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,37-38H,3-24,27-28H2,1-2H3,(H,35,39)(H,36,40)
InChIKeyOTUAORSRUXDWAE-UHFFFAOYSA-N
XLogP8.26
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.86
LogP ≤ 58.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(2,5-dihydroxyphenyl)-N-[(E)-heptadec-8-enyl]acetamide
CID 11997099
N-hexyl-2,4,6-trihydroxybenzamide
CID 14837586
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-hexyl-2-(5-hydroxy-1-benzofuran-3-yl)acetamide
CID 18360692
[2,4-bis[2-(hexylamino)-2-oxoethyl]phenyl]-hydroxy-oxophosphanium
CID 177256065
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide?
The IUPAC name of N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide (CID 15131759) is N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide.
What is the SMILES notation for N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide?
The canonical SMILES for N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide is CCCCCCCCCCCCNC(=O)Cc1cc(O)c(CC(=O)NCCCCCCCCCCCC)cc1O.
What is the InChIKey of N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide?
The InChIKey is OTUAORSRUXDWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-35-33(39)27-29-25-32(38)30(26-31(29)37)28-34(40)36-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,37-38H,3-24,27-28H2,1-2H3,(H,35,39)(H,36,40).
What are the key properties of N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide?
N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide has a molecular weight of 560.86 g/mol, XLogP of 8.26, 26 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-[4-[2-(dodecylamino)-2-oxoethyl]-2,5-dihydroxyphenyl]acetamide is sourced from PubChem (CID 15131759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).