N,N'-bis(4-methoxyphenyl)dodecanediamide

C26H36N2O4 — CID 5187461

IUPACN,N'-bis(4-methoxyphenyl)dodecanediamide
SMILESCOc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-31-23-17-13-21(14-18-23)27-25(29)11-9-7-5-3-4-6-8-10-12-26(30)28-22-15-19-24(32-2)20-16-22/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUMZYIQZSPYBPSH-UHFFFAOYSA-N
MW440.58 g/mol
LogP6.18
Rot. Bonds15

About N,N'-bis(4-methoxyphenyl)dodecanediamide

N,N'-bis(4-methoxyphenyl)dodecanediamide (PubChem CID 5187461) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N,N'-bis(4-methoxyphenyl)dodecanediamide.

Molecular Properties

Compound NameN,N'-bis(4-methoxyphenyl)dodecanediamide
PubChem CID5187461
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN,N'-bis(4-methoxyphenyl)dodecanediamide
SMILESCOc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H36N2O4/c1-31-23-17-13-21(14-18-23)27-25(29)11-9-7-5-3-4-6-8-10-12-26(30)28-22-15-19-24(32-2)20-16-22/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUMZYIQZSPYBPSH-UHFFFAOYSA-N
XLogP6.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N'-(4-methoxyphenyl)-N-prop-2-enylbutanediamide
CID 3325031

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxyphenyl)dodecanediamide?
The IUPAC name of N,N'-bis(4-methoxyphenyl)dodecanediamide (CID 5187461) is N,N'-bis(4-methoxyphenyl)dodecanediamide.
What is the SMILES notation for N,N'-bis(4-methoxyphenyl)dodecanediamide?
The canonical SMILES for N,N'-bis(4-methoxyphenyl)dodecanediamide is COc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-methoxyphenyl)dodecanediamide?
The InChIKey is UMZYIQZSPYBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-31-23-17-13-21(14-18-23)27-25(29)11-9-7-5-3-4-6-8-10-12-26(30)28-22-15-19-24(32-2)20-16-22/h13-20H,3-12H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(4-methoxyphenyl)dodecanediamide?
N,N'-bis(4-methoxyphenyl)dodecanediamide has a molecular weight of 440.58 g/mol, XLogP of 6.18, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxyphenyl)dodecanediamide is sourced from PubChem (CID 5187461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).