3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide

C18H22N2O3 — CID 47877564

IUPAC3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-9-17(23-3)16(12-13)19-11-10-18(21)20-14-5-7-15(22-2)8-6-14/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyHXWLAJRZYAMYFJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.45
Rot. Bonds7

About 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide

3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 47877564) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID47877564
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H22N2O3/c1-13-4-9-17(23-3)16(12-13)19-11-10-18(21)20-14-5-7-15(22-2)8-6-14/h4-9,12,19H,10-11H2,1-3H3,(H,20,21)
InChIKeyHXWLAJRZYAMYFJ-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47076752
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(2,5-dichlorophenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040075
N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040066
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide (CID 47877564) is 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cc(C)ccc2OC)cc1.
What is the InChIKey of 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is HXWLAJRZYAMYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-4-9-17(23-3)16(12-13)19-11-10-18(21)20-14-5-7-15(22-2)8-6-14/h4-9,12,19H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide?
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 47877564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).