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

C21H28N2O3 — CID 109027750

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15-6-5-7-16(2)21(15)23-13-11-20(24)22-12-10-17-8-9-18(25-3)19(14-17)26-4/h5-9,14,23H,10-13H2,1-4H3,(H,22,24)
InChIKeyGRUXKMDLNFUSMG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.48
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide (PubChem CID 109027750) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
PubChem CID109027750
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1OC
InChIInChI=1S/C21H28N2O3/c1-15-6-5-7-16(2)21(15)23-13-11-20(24)22-12-10-17-8-9-18(25-3)19(14-17)26-4/h5-9,14,23H,10-13H2,1-4H3,(H,22,24)
InChIKeyGRUXKMDLNFUSMG-UHFFFAOYSA-N
XLogP3.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027780
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3,4-trifluoroanilino)propanamide
CID 109027802
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide (CID 109027750) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide is COc1ccc(CCNC(=O)CCNc2c(C)cccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide?
The InChIKey is GRUXKMDLNFUSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-6-5-7-16(2)21(15)23-13-11-20(24)22-12-10-17-8-9-18(25-3)19(14-17)26-4/h5-9,14,23H,10-13H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 109027750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).