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

C18H27N3O4 — CID 113128713

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C18H27N3O4/c1-15(22)21(16-5-3-4-6-17(16)24-2)9-7-18(23)19-8-10-20-11-13-25-14-12-20/h3-6H,7-14H2,1-2H3,(H,19,23)
InChIKeyATUUIOKANGQOED-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.89
Rot. Bonds8

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

3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 113128713) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID113128713
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCN1CCOCC1)C(C)=O
InChIInChI=1S/C18H27N3O4/c1-15(22)21(16-5-3-4-6-17(16)24-2)9-7-18(23)19-8-10-20-11-13-25-14-12-20/h3-6H,7-14H2,1-2H3,(H,19,23)
InChIKeyATUUIOKANGQOED-UHFFFAOYSA-N
XLogP0.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
3-(N-acetyl-2,6-difluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113135341
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
methyl 2-[acetyl-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]amino]benzoate
CID 113176051
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
3-(N-acetyl-3-chloroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113127193
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113119422

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 113128713) is 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide is COc1ccccc1N(CCC(=O)NCCN1CCOCC1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is ATUUIOKANGQOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-15(22)21(16-5-3-4-6-17(16)24-2)9-7-18(23)19-8-10-20-11-13-25-14-12-20/h3-6H,7-14H2,1-2H3,(H,19,23).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 113128713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).