3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide

C21H27NO5 — CID 84564084

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)COc2ccccc2C)cc1OC
InChIInChI=1S/C21H27NO5/c1-15-6-4-5-7-18(15)27-14-17(23)13-22-21(24)11-9-16-8-10-19(25-2)20(12-16)26-3/h4-8,10,12,17,23H,9,11,13-14H2,1-3H3,(H,22,24)
InChIKeyMPOKHIZHKZIXBU-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.50
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide (PubChem CID 84564084) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
PubChem CID84564084
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)COc2ccccc2C)cc1OC
InChIInChI=1S/C21H27NO5/c1-15-6-4-5-7-18(15)27-14-17(23)13-22-21(24)11-9-16-8-10-19(25-2)20(12-16)26-3/h4-8,10,12,17,23H,9,11,13-14H2,1-3H3,(H,22,24)
InChIKeyMPOKHIZHKZIXBU-UHFFFAOYSA-N
XLogP2.50
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-(4-methylphenyl)propanamide
CID 84568972
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-hydroxy-3-(2-methylphenoxy)propyl]heptanamide
CID 84564095
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 8017015
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132658147
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide (CID 84564084) is 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide is COc1ccc(CCC(=O)NCC(O)COc2ccccc2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide?
The InChIKey is MPOKHIZHKZIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-15-6-4-5-7-18(15)27-14-17(23)13-22-21(24)11-9-16-8-10-19(25-2)20(12-16)26-3/h4-8,10,12,17,23H,9,11,13-14H2,1-3H3,(H,22,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 2.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 84564084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).