3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide

C15H22N2O4 — CID 113129054

IUPAC3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)17(10-8-15(19)16-9-11-20-2)13-4-6-14(21-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyPTSQTEBWPAVCIY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.20
Rot. Bonds8

About 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide

3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide (PubChem CID 113129054) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
PubChem CID113129054
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)17(10-8-15(19)16-9-11-20-2)13-4-6-14(21-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,16,19)
InChIKeyPTSQTEBWPAVCIY-UHFFFAOYSA-N
XLogP1.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-4-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113129082
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide (CID 113129054) is 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN(C(C)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
The InChIKey is PTSQTEBWPAVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)17(10-8-15(19)16-9-11-20-2)13-4-6-14(21-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,16,19).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide?
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 113129054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).