3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C22H34N2O4 — CID 37259435

IUPAC3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC
InChIInChI=1S/C22H34N2O4/c1-26-19-8-6-18(16-20(19)27-2)7-9-21(25)23-17-22(10-4-3-5-11-22)24-12-14-28-15-13-24/h6,8,16H,3-5,7,9-15,17H2,1-2H3,(H,23,25)
InChIKeyVAAOGDYWLFHCPS-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.79
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 37259435) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID37259435
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC
InChIInChI=1S/C22H34N2O4/c1-26-19-8-6-18(16-20(19)27-2)7-9-21(25)23-17-22(10-4-3-5-11-22)24-12-14-28-15-13-24/h6,8,16H,3-5,7,9-15,17H2,1-2H3,(H,23,25)
InChIKeyVAAOGDYWLFHCPS-UHFFFAOYSA-N
XLogP2.79
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-[4-(diethylsulfamoyl)phenyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 31328580
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55520619
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
3-fluoro-4-methoxy-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028774
3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 122194375
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 37259435) is 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is COc1ccc(CCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is VAAOGDYWLFHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-26-19-8-6-18(16-20(19)27-2)7-9-21(25)23-17-22(10-4-3-5-11-22)24-12-14-28-15-13-24/h6,8,16H,3-5,7,9-15,17H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 390.52 g/mol, XLogP of 2.79, 8 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-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 37259435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).