N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide

C40H64N2O2 — CID 4038839

IUPACN-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCC)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C40H64N2O2/c1-5-7-9-11-13-15-17-19-21-31-39(43)41(37-29-25-23-27-35(37)3)33-34-42(38-30-26-24-28-36(38)4)40(44)32-22-20-18-16-14-12-10-8-6-2/h23-30H,5-22,31-34H2,1-4H3
InChIKeyAVVJRONZLIBUNA-UHFFFAOYSA-N
MW604.96 g/mol
LogP11.51
Rot. Bonds25

About N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide

N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide (PubChem CID 4038839) has the molecular formula C40H64N2O2 and a molecular weight of 604.96 g/mol. Its IUPAC name is N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide.

Molecular Properties

Compound NameN-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
PubChem CID4038839
Molecular FormulaC40H64N2O2
Molecular Weight604.96 g/mol
Exact Mass604.50
IUPAC NameN-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCC)c1ccccc1C)c1ccccc1C
InChIInChI=1S/C40H64N2O2/c1-5-7-9-11-13-15-17-19-21-31-39(43)41(37-29-25-23-27-35(37)3)33-34-42(38-30-26-24-28-36(38)4)40(44)32-22-20-18-16-14-12-10-8-6-2/h23-30H,5-22,31-34H2,1-4H3
InChIKeyAVVJRONZLIBUNA-UHFFFAOYSA-N
XLogP11.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.96
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-heptanoyl-2-methylanilino)propanoic acid
CID 60832644
N-(2-ethylphenyl)-N-hexanoylhexanamide
CID 91711142
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
1-(2-methylphenyl)-1,3-dioctadecylurea
CID 141260118
3-(N-(2-butylsulfanylacetyl)-2-methylanilino)propanoic acid
CID 60832820
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(N-octanoylanilino)propanoic acid
CID 60831115
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
CID 114753046
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
hexanoic acid;methyl-(2-methylphenyl)carbamic acid
CID 174982557
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide?
The IUPAC name of N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide (CID 4038839) is N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide.
What is the SMILES notation for N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide?
The canonical SMILES for N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide is CCCCCCCCCCCC(=O)N(CCN(C(=O)CCCCCCCCCCC)c1ccccc1C)c1ccccc1C.
What is the InChIKey of N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide?
The InChIKey is AVVJRONZLIBUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H64N2O2/c1-5-7-9-11-13-15-17-19-21-31-39(43)41(37-29-25-23-27-35(37)3)33-34-42(38-30-26-24-28-36(38)4)40(44)32-22-20-18-16-14-12-10-8-6-2/h23-30H,5-22,31-34H2,1-4H3.
What are the key properties of N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide?
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide has a molecular weight of 604.96 g/mol, XLogP of 11.51, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide is sourced from PubChem (CID 4038839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).