3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide

C17H24ClN3O3 — CID 113127193

IUPAC3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-14(22)21(16-4-2-3-15(18)13-16)7-5-17(23)19-6-8-20-9-11-24-12-10-20/h2-4,13H,5-12H2,1H3,(H,19,23)
InChIKeyAXDIUFOUGVKIJO-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.53
Rot. Bonds7

About 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113127193) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113127193
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O3/c1-14(22)21(16-4-2-3-15(18)13-16)7-5-17(23)19-6-8-20-9-11-24-12-10-20/h2-4,13H,5-12H2,1H3,(H,19,23)
InChIKeyAXDIUFOUGVKIJO-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113171303
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
2-(N-acetyl-4-bromo-3-methylanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 113178152
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 113127193) is 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide is CC(=O)N(CCC(=O)NCCN1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is AXDIUFOUGVKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-14(22)21(16-4-2-3-15(18)13-16)7-5-17(23)19-6-8-20-9-11-24-12-10-20/h2-4,13H,5-12H2,1H3,(H,19,23).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 353.85 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113127193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).