4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide

C22H28N2O4 — CID 110612957

IUPAC4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(N3CCOCC3)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-26-20-10-9-17(15-21(20)27-2)5-3-8-22(25)23-18-6-4-7-19(16-18)24-11-13-28-14-12-24/h4,6-7,9-10,15-16H,3,5,8,11-14H2,1-2H3,(H,23,25)
InChIKeyFJWOAUNRRPAWIX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.50
Rot. Bonds8

About 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide

4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide (PubChem CID 110612957) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
PubChem CID110612957
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)Nc2cccc(N3CCOCC3)c2)cc1OC
InChIInChI=1S/C22H28N2O4/c1-26-20-10-9-17(15-21(20)27-2)5-3-8-22(25)23-18-6-4-7-19(16-18)24-11-13-28-14-12-24/h4,6-7,9-10,15-16H,3,5,8,11-14H2,1-2H3,(H,23,25)
InChIKeyFJWOAUNRRPAWIX-UHFFFAOYSA-N
XLogP3.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)prop-2-enamide
CID 1232475
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110613002
N-(4-acetamidophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110423899
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N'-(3,4-dimethoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891687
4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-methoxy-4-(3-methylbutoxy)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55951918
3-(3,4-dimethoxyphenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]propanamide
CID 4849988

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide (CID 110612957) is 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide is COc1ccc(CCCC(=O)Nc2cccc(N3CCOCC3)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide?
The InChIKey is FJWOAUNRRPAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-20-10-9-17(15-21(20)27-2)5-3-8-22(25)23-18-6-4-7-19(16-18)24-11-13-28-14-12-24/h4,6-7,9-10,15-16H,3,5,8,11-14H2,1-2H3,(H,23,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide?
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 110612957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).