3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C20H25ClN2O3 — CID 109027769

IUPAC3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14-12-16(21)5-6-17(14)22-11-9-20(24)23-10-8-15-4-7-18(25-2)19(13-15)26-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyPRTJGNOCBCWEKR-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.83
Rot. Bonds9

About 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 109027769) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID109027769
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(Cl)cc2C)cc1OC
InChIInChI=1S/C20H25ClN2O3/c1-14-12-16(21)5-6-17(14)22-11-9-20(24)23-10-8-15-4-7-18(25-2)19(13-15)26-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24)
InChIKeyPRTJGNOCBCWEKR-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-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3,4-trifluoroanilino)propanamide
CID 109027802
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
N-[2-(4-aminophenyl)ethyl]-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119549697
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
1-[2-(4-chloro-2-methylphenoxy)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 112976514
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 109027769) is 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2ccc(Cl)cc2C)cc1OC.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is PRTJGNOCBCWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-14-12-16(21)5-6-17(14)22-11-9-20(24)23-10-8-15-4-7-18(25-2)19(13-15)26-3/h4-7,12-13,22H,8-11H2,1-3H3,(H,23,24).
What are the key properties of 3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)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-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109027769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).