2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C24H33N3O4 — CID 8682147

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-26(11-10-19-6-9-22(29-2)23(16-19)30-3)18-24(28)25-21-7-4-20(5-8-21)17-27-12-14-31-15-13-27/h4-9,16H,10-15,17-18H2,1-3H3,(H,25,28)
InChIKeyVAGDHRAEYKGVEX-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.65
Rot. Bonds10

About 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 8682147) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID8682147
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC
InChIInChI=1S/C24H33N3O4/c1-26(11-10-19-6-9-22(29-2)23(16-19)30-3)18-24(28)25-21-7-4-20(5-8-21)17-27-12-14-31-15-13-27/h4-9,16H,10-15,17-18H2,1-3H3,(H,25,28)
InChIKeyVAGDHRAEYKGVEX-UHFFFAOYSA-N
XLogP2.65
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8584049
2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8805861
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8584003
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26628380
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 658810
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732
4-(5-chloro-2-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanamide
CID 108730998
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60616616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 8682147) is 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is COc1ccc(CCN(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is VAGDHRAEYKGVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-26(11-10-19-6-9-22(29-2)23(16-19)30-3)18-24(28)25-21-7-4-20(5-8-21)17-27-12-14-31-15-13-27/h4-9,16H,10-15,17-18H2,1-3H3,(H,25,28).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 8682147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).