3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide

C17H26N2O4 — CID 113129540

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-13-6-7-16(23-4)15(12-13)19(14(2)20)10-8-17(21)18-9-5-11-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyDOEDMZDSWJPONI-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.90
Rot. Bonds9

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 113129540) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
PubChem CID113129540
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1cc(C)ccc1OC
InChIInChI=1S/C17H26N2O4/c1-13-6-7-16(23-4)15(12-13)19(14(2)20)10-8-17(21)18-9-5-11-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyDOEDMZDSWJPONI-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.90
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-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124170
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide (CID 113129540) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(C(C)=O)c1cc(C)ccc1OC.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is DOEDMZDSWJPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-6-7-16(23-4)15(12-13)19(14(2)20)10-8-17(21)18-9-5-11-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,21).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113129540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).