3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C20H25ClN2O4 — CID 109031086

IUPAC3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C20H25ClN2O4/c1-14-12-18(19(26-3)13-17(14)21)22-9-8-20(24)23-10-11-27-16-6-4-15(25-2)5-7-16/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyXRYZJIALHURPPF-UHFFFAOYSA-N
MW392.88 g/mol
LogP3.66
Rot. Bonds10

About 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 109031086) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID109031086
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C20H25ClN2O4/c1-14-12-18(19(26-3)13-17(14)21)22-9-8-20(24)23-10-11-27-16-6-4-15(25-2)5-7-16/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyXRYZJIALHURPPF-UHFFFAOYSA-N
XLogP3.66
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
3-(2-tert-butylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031043
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036891
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 109031086) is 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCNc2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is XRYZJIALHURPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c1-14-12-18(19(26-3)13-17(14)21)22-9-8-20(24)23-10-11-27-16-6-4-15(25-2)5-7-16/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 392.88 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 109031086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).