N,N'-bis(5-methoxy-2-methylphenyl)decanediamide

C26H36N2O4 — CID 10670784

IUPACN,N'-bis(5-methoxy-2-methylphenyl)decanediamide
SMILESCOc1ccc(C)c(NC(=O)CCCCCCCCC(=O)Nc2cc(OC)ccc2C)c1
InChIInChI=1S/C26H36N2O4/c1-19-13-15-21(31-3)17-23(19)27-25(29)11-9-7-5-6-8-10-12-26(30)28-24-18-22(32-4)16-14-20(24)2/h13-18H,5-12H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyNTVRXOKERYQRGV-UHFFFAOYSA-N
MW440.58 g/mol
LogP6.02
Rot. Bonds13

About N,N'-bis(5-methoxy-2-methylphenyl)decanediamide

N,N'-bis(5-methoxy-2-methylphenyl)decanediamide (PubChem CID 10670784) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is N,N'-bis(5-methoxy-2-methylphenyl)decanediamide.

Molecular Properties

Compound NameN,N'-bis(5-methoxy-2-methylphenyl)decanediamide
PubChem CID10670784
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC NameN,N'-bis(5-methoxy-2-methylphenyl)decanediamide
SMILESCOc1ccc(C)c(NC(=O)CCCCCCCCC(=O)Nc2cc(OC)ccc2C)c1
InChIInChI=1S/C26H36N2O4/c1-19-13-15-21(31-3)17-23(19)27-25(29)11-9-7-5-6-8-10-12-26(30)28-24-18-22(32-4)16-14-20(24)2/h13-18H,5-12H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyNTVRXOKERYQRGV-UHFFFAOYSA-N
XLogP6.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 56.02
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

N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
N-(5-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113256572
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(5-methoxy-2-methylphenyl)-3-methylbut-2-enamide
CID 123241915
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-methoxy-2-methylphenyl)decanediamide?
The IUPAC name of N,N'-bis(5-methoxy-2-methylphenyl)decanediamide (CID 10670784) is N,N'-bis(5-methoxy-2-methylphenyl)decanediamide.
What is the SMILES notation for N,N'-bis(5-methoxy-2-methylphenyl)decanediamide?
The canonical SMILES for N,N'-bis(5-methoxy-2-methylphenyl)decanediamide is COc1ccc(C)c(NC(=O)CCCCCCCCC(=O)Nc2cc(OC)ccc2C)c1.
What is the InChIKey of N,N'-bis(5-methoxy-2-methylphenyl)decanediamide?
The InChIKey is NTVRXOKERYQRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-19-13-15-21(31-3)17-23(19)27-25(29)11-9-7-5-6-8-10-12-26(30)28-24-18-22(32-4)16-14-20(24)2/h13-18H,5-12H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(5-methoxy-2-methylphenyl)decanediamide?
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide has a molecular weight of 440.58 g/mol, XLogP of 6.02, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methoxy-2-methylphenyl)decanediamide is sourced from PubChem (CID 10670784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).