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

C19H29N3O3 — CID 113117729

IUPAC3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-3-17-4-6-18(7-5-17)20-19(24)8-9-22(16(2)23)11-10-21-12-14-25-15-13-21/h4-7H,3,8-15H2,1-2H3,(H,20,24)
InChIKeyDHZHQHQIOJTWNG-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.76
Rot. Bonds8

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

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113117729) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
PubChem CID113117729
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-3-17-4-6-18(7-5-17)20-19(24)8-9-22(16(2)23)11-10-21-12-14-25-15-13-21/h4-7H,3,8-15H2,1-2H3,(H,20,24)
InChIKeyDHZHQHQIOJTWNG-UHFFFAOYSA-N
XLogP1.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113117766
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113117750
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-fluorophenyl)acetamide
CID 113160688
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-tert-butylphenyl)acetamide
CID 113160686
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
2-[(E)-(1-amino-3-morpholin-4-ylpropylidene)amino]oxy-N-(4-ethylphenyl)acetamide
CID 47084533

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide (CID 113117729) is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(CCN2CCOCC2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is DHZHQHQIOJTWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-17-4-6-18(7-5-17)20-19(24)8-9-22(16(2)23)11-10-21-12-14-25-15-13-21/h4-7H,3,8-15H2,1-2H3,(H,20,24).
What are the key properties of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide?
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113117729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).