3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide

C19H24N2O4 — CID 16576300

IUPAC3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
SMILESCOc1ccc(OCCN(CCC(N)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-23-16-5-3-15(4-6-16)21(12-11-19(20)22)13-14-25-18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H2,20,22)
InChIKeyGDCZESANYNMJRB-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.46
Rot. Bonds10

About 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide

3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide (PubChem CID 16576300) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide.

Molecular Properties

Compound Name3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
PubChem CID16576300
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
SMILESCOc1ccc(OCCN(CCC(N)=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H24N2O4/c1-23-16-5-3-15(4-6-16)21(12-11-19(20)22)13-14-25-18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H2,20,22)
InChIKeyGDCZESANYNMJRB-UHFFFAOYSA-N
XLogP2.46
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
carbamic acid;2-[N-(2-hydroxyethyl)-4-methoxyanilino]ethanol
CID 71435780
3-(N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24561184
3-(N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18124684
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
CID 18131479
3-(4-fluoro-N-[2-(4-methoxyphenoxy)acetyl]anilino)propanamide
CID 17419390
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanediamide;hydrochloride
CID 119956088
3-(N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-methoxyanilino)propanamide
CID 18103265

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide?
The IUPAC name of 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide (CID 16576300) is 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide.
What is the SMILES notation for 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide?
The canonical SMILES for 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide is COc1ccc(OCCN(CCC(N)=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide?
The InChIKey is GDCZESANYNMJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-16-5-3-15(4-6-16)21(12-11-19(20)22)13-14-25-18-9-7-17(24-2)8-10-18/h3-10H,11-14H2,1-2H3,(H2,20,22).
What are the key properties of 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide?
3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide has a molecular weight of 344.41 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide is sourced from PubChem (CID 16576300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).