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

C20H25ClN2O3 — CID 109025345

IUPAC3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14-12-17(19(26-3)13-16(14)21)22-11-9-20(24)23-10-8-15-6-4-5-7-18(15)25-2/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyGQXZGENZJRQOJB-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.83
Rot. Bonds9

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

3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 109025345) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID109025345
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14-12-17(19(26-3)13-16(14)21)22-11-9-20(24)23-10-8-15-6-4-5-7-18(15)25-2/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyGQXZGENZJRQOJB-UHFFFAOYSA-N
XLogP3.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025476
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031086
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
3-(3-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022024
3-(4-chloro-2-methoxy-5-methylanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038425
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 109025345) is 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCNc1cc(C)c(Cl)cc1OC.
What is the InChIKey of 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is GQXZGENZJRQOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14-12-17(19(26-3)13-16(14)21)22-11-9-20(24)23-10-8-15-6-4-5-7-18(15)25-2/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-(2-methoxyphenyl)ethyl]propanamide?
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 376.88 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).