3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

C21H34N2O4 — CID 55520619

IUPAC3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(CC(C)C)N2CCOCC2)cc1OC
InChIInChI=1S/C21H34N2O4/c1-16(2)13-18(23-9-11-27-12-10-23)15-22-21(24)8-6-17-5-7-19(25-3)20(14-17)26-4/h5,7,14,16,18H,6,8-13,15H2,1-4H3,(H,22,24)
InChIKeyZJRVNYGSURKPQZ-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.50
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (PubChem CID 55520619) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
PubChem CID55520619
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(CC(C)C)N2CCOCC2)cc1OC
InChIInChI=1S/C21H34N2O4/c1-16(2)13-18(23-9-11-27-12-10-23)15-22-21(24)8-6-17-5-7-19(25-3)20(14-17)26-4/h5,7,14,16,18H,6,8-13,15H2,1-4H3,(H,22,24)
InChIKeyZJRVNYGSURKPQZ-UHFFFAOYSA-N
XLogP2.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
N-(4-methyl-2-morpholin-4-ylpentyl)-2-naphthalen-2-ylacetamide
CID 46540850
3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574638
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 37259435
2-(2,5-dichlorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 24666851
2-(4-fluorophenoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 134027111
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
CID 33314358
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55610174
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide (CID 55520619) is 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is COc1ccc(CCC(=O)NCC(CC(C)C)N2CCOCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
The InChIKey is ZJRVNYGSURKPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-16(2)13-18(23-9-11-27-12-10-23)15-22-21(24)8-6-17-5-7-19(25-3)20(14-17)26-4/h5,7,14,16,18H,6,8-13,15H2,1-4H3,(H,22,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide has a molecular weight of 378.51 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide is sourced from PubChem (CID 55520619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).