3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide

C23H31NO4 — CID 132658147

IUPAC3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCCOc1ccc(CCC(=O)NC(C)COc2ccccc2C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-5-26-21-13-11-19(15-22(21)27-6-2)12-14-23(25)24-18(4)16-28-20-10-8-7-9-17(20)3/h7-11,13,15,18H,5-6,12,14,16H2,1-4H3,(H,24,25)
InChIKeyULDNQLUNVKBGEG-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.31
Rot. Bonds11

About 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide

3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide (PubChem CID 132658147) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
PubChem CID132658147
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
SMILESCCOc1ccc(CCC(=O)NC(C)COc2ccccc2C)cc1OCC
InChIInChI=1S/C23H31NO4/c1-5-26-21-13-11-19(15-22(21)27-6-2)12-14-23(25)24-18(4)16-28-20-10-8-7-9-17(20)3/h7-11,13,15,18H,5-6,12,14,16H2,1-4H3,(H,24,25)
InChIKeyULDNQLUNVKBGEG-UHFFFAOYSA-N
XLogP4.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 132652164
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 94623535
3-(3,4-dichlorophenyl)-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 100597850
3-(4-chlorophenyl)-N-[1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 133220664
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]propanamide
CID 84564084
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 95165188
1-(2-ethoxyphenyl)-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 100706087
(2S)-2-[3-(3,4-diethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100653785

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide (CID 132658147) is 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide is CCOc1ccc(CCC(=O)NC(C)COc2ccccc2C)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is ULDNQLUNVKBGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-26-21-13-11-19(15-22(21)27-6-2)12-14-23(25)24-18(4)16-28-20-10-8-7-9-17(20)3/h7-11,13,15,18H,5-6,12,14,16H2,1-4H3,(H,24,25).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide?
3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 132658147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).