N,N'-bis(2,5-dimethoxyphenyl)butanediamide

C20H24N2O6 — CID 1011774

IUPACN,N'-bis(2,5-dimethoxyphenyl)butanediamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H24N2O6/c1-25-13-5-7-17(27-3)15(11-13)21-19(23)9-10-20(24)22-16-12-14(26-2)6-8-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFOAHXHFSIKYMAX-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.08
Rot. Bonds9

About N,N'-bis(2,5-dimethoxyphenyl)butanediamide

N,N'-bis(2,5-dimethoxyphenyl)butanediamide (PubChem CID 1011774) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is N,N'-bis(2,5-dimethoxyphenyl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(2,5-dimethoxyphenyl)butanediamide
PubChem CID1011774
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC NameN,N'-bis(2,5-dimethoxyphenyl)butanediamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H24N2O6/c1-25-13-5-7-17(27-3)15(11-13)21-19(23)9-10-20(24)22-16-12-14(26-2)6-8-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyFOAHXHFSIKYMAX-UHFFFAOYSA-N
XLogP3.08
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,5-dimethoxyphenyl)butanediamide?
The IUPAC name of N,N'-bis(2,5-dimethoxyphenyl)butanediamide (CID 1011774) is N,N'-bis(2,5-dimethoxyphenyl)butanediamide.
What is the SMILES notation for N,N'-bis(2,5-dimethoxyphenyl)butanediamide?
The canonical SMILES for N,N'-bis(2,5-dimethoxyphenyl)butanediamide is COc1ccc(OC)c(NC(=O)CCC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of N,N'-bis(2,5-dimethoxyphenyl)butanediamide?
The InChIKey is FOAHXHFSIKYMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-25-13-5-7-17(27-3)15(11-13)21-19(23)9-10-20(24)22-16-12-14(26-2)6-8-18(16)28-4/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2,5-dimethoxyphenyl)butanediamide?
N,N'-bis(2,5-dimethoxyphenyl)butanediamide has a molecular weight of 388.42 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,5-dimethoxyphenyl)butanediamide is sourced from PubChem (CID 1011774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).