3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide

C19H29N3O5 — CID 113117763

IUPAC3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1OC
InChIInChI=1S/C19H29N3O5/c1-15(23)22(9-8-21-10-12-27-13-11-21)7-6-19(24)20-16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13H2,1-3H3,(H,20,24)
InChIKeyDOECZIKKPFEIIJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.21
Rot. Bonds9

About 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 113117763) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID113117763
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1OC
InChIInChI=1S/C19H29N3O5/c1-15(23)22(9-8-21-10-12-27-13-11-21)7-6-19(24)20-16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13H2,1-3H3,(H,20,24)
InChIKeyDOECZIKKPFEIIJ-UHFFFAOYSA-N
XLogP1.21
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113117750
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113117729
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117582
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113119361
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113053665
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide (CID 113117763) is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1OC.
What is the InChIKey of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is DOECZIKKPFEIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-15(23)22(9-8-21-10-12-27-13-11-21)7-6-19(24)20-16-4-5-17(25-2)18(14-16)26-3/h4-5,14H,6-13H2,1-3H3,(H,20,24).
What are the key properties of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide?
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 379.46 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 113117763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).