N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide

C17H25N3O5 — CID 108944084

IUPACN'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C17H25N3O5/c1-23-14-4-3-13(11-15(14)24-2)19-17(22)12-16(21)18-5-6-20-7-9-25-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIEHZARQLICAXMJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP0.48
Rot. Bonds8

About N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide

N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108944084) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108944084
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1OC
InChIInChI=1S/C17H25N3O5/c1-23-14-4-3-13(11-15(14)24-2)19-17(22)12-16(21)18-5-6-20-7-9-25-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIEHZARQLICAXMJ-UHFFFAOYSA-N
XLogP0.48
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.48
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

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133907
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
1-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 110438011
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide (CID 108944084) is N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide is COc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1OC.
What is the InChIKey of N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is IEHZARQLICAXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-23-14-4-3-13(11-15(14)24-2)19-17(22)12-16(21)18-5-6-20-7-9-25-10-8-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 351.40 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108944084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).