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

C17H24ClN3O3 — CID 113117743

IUPAC3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCN1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c1-14(22)21(9-8-20-10-12-24-13-11-20)7-6-17(23)19-16-4-2-15(18)3-5-16/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyGBMBASGKHUPUEY-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.85
Rot. Bonds7

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

3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide (PubChem CID 113117743) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
PubChem CID113117743
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCN1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c1-14(22)21(9-8-20-10-12-24-13-11-20)7-6-17(23)19-16-4-2-15(18)3-5-16/h2-5H,6-13H2,1H3,(H,19,23)
InChIKeyGBMBASGKHUPUEY-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113117750
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 113117763
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
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-bromophenyl)acetamide
CID 113160733
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-(4-chlorophenyl)-1-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 15995461

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide (CID 113117743) is 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(Cl)cc1)CCN1CCOCC1.
What is the InChIKey of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide?
The InChIKey is GBMBASGKHUPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-14(22)21(9-8-20-10-12-24-13-11-20)7-6-17(23)19-16-4-2-15(18)3-5-16/h2-5H,6-13H2,1H3,(H,19,23).
What are the key properties of 3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide?
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide has a molecular weight of 353.85 g/mol, XLogP of 1.85, 7 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-chlorophenyl)propanamide is sourced from PubChem (CID 113117743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).