N,N'-bis(3,4-dimethoxyphenyl)propanediamide

C19H22N2O6 — CID 21232287

IUPACN,N'-bis(3,4-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-14-7-5-12(9-16(14)26-3)20-18(22)11-19(23)21-13-6-8-15(25-2)17(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyDSXPIMNGKVFATE-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.69
Rot. Bonds8

About N,N'-bis(3,4-dimethoxyphenyl)propanediamide

N,N'-bis(3,4-dimethoxyphenyl)propanediamide (PubChem CID 21232287) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is N,N'-bis(3,4-dimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(3,4-dimethoxyphenyl)propanediamide
PubChem CID21232287
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC NameN,N'-bis(3,4-dimethoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H22N2O6/c1-24-14-7-5-12(9-16(14)26-3)20-18(22)11-19(23)21-13-6-8-15(25-2)17(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyDSXPIMNGKVFATE-UHFFFAOYSA-N
XLogP2.69
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
CID 108941868
ethyl 4-[[3-(3,4-dimethoxyanilino)-3-oxopropanoyl]amino]benzoate
CID 108956010
3-amino-N-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 64684929
N'-(4-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)propanediamide
CID 108955190
N'-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]propanediamide
CID 108944261
(3,4-dimethoxyphenyl)urea
CID 21197430
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3,4-dimethoxyphenyl)propanediamide?
The IUPAC name of N,N'-bis(3,4-dimethoxyphenyl)propanediamide (CID 21232287) is N,N'-bis(3,4-dimethoxyphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(3,4-dimethoxyphenyl)propanediamide?
The canonical SMILES for N,N'-bis(3,4-dimethoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N,N'-bis(3,4-dimethoxyphenyl)propanediamide?
The InChIKey is DSXPIMNGKVFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-24-14-7-5-12(9-16(14)26-3)20-18(22)11-19(23)21-13-6-8-15(25-2)17(10-13)27-4/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(3,4-dimethoxyphenyl)propanediamide?
N,N'-bis(3,4-dimethoxyphenyl)propanediamide has a molecular weight of 374.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3,4-dimethoxyphenyl)propanediamide is sourced from PubChem (CID 21232287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).