3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide

C16H24N2O4 — CID 113128709

IUPAC3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-13(19)18(14-7-4-5-8-15(14)22-3)11-9-16(20)17-10-6-12-21-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,20)
InChIKeyRTQMHYPZLJHPAF-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.59
Rot. Bonds9

About 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide

3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide (PubChem CID 113128709) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
PubChem CID113128709
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C16H24N2O4/c1-13(19)18(14-7-4-5-8-15(14)22-3)11-9-16(20)17-10-6-12-21-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,20)
InChIKeyRTQMHYPZLJHPAF-UHFFFAOYSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.59
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-[2-(dimethylamino)ethyl]propanamide
CID 113128712
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
3-(N-acetyl-2,3-dichloroanilino)-N-(3-methoxypropyl)propanamide
CID 113134275
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide (CID 113128709) is 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(C(C)=O)c1ccccc1OC.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide?
The InChIKey is RTQMHYPZLJHPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13(19)18(14-7-4-5-8-15(14)22-3)11-9-16(20)17-10-6-12-21-2/h4-5,7-8H,6,9-12H2,1-3H3,(H,17,20).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide?
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.59, 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-methoxyanilino)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113128709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).