3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

C20H25ClN2O2 — CID 109025293

IUPAC3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-11-9-19(24)22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24)
InChIKeySDHCBWXPJWOQMN-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.13
Rot. Bonds8

About 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide

3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 109025293) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
PubChem CID109025293
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-11-9-19(24)22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24)
InChIKeySDHCBWXPJWOQMN-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025421
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113164583
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide (CID 109025293) is 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1CCNC(=O)CCNc1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is SDHCBWXPJWOQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-12-15(2)20(17(21)13-14)23-11-9-19(24)22-10-8-16-6-4-5-7-18(16)25-3/h4-7,12-13,23H,8-11H2,1-3H3,(H,22,24).
What are the key properties of 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide?
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 360.89 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109025293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).