N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide

C22H29NO4 — CID 43907670

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2ccccc2CC)cc1OCC
InChIInChI=1S/C22H29NO4/c1-5-18-10-8-9-11-19(18)27-16(4)22(24)23-15-17-12-13-20(25-6-2)21(14-17)26-7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24)
InChIKeyQIQSQCHPVSWQQD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.13
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide

N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide (PubChem CID 43907670) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
PubChem CID43907670
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
SMILESCCOc1ccc(CNC(=O)C(C)Oc2ccccc2CC)cc1OCC
InChIInChI=1S/C22H29NO4/c1-5-18-10-8-9-11-19(18)27-16(4)22(24)23-15-17-12-13-20(25-6-2)21(14-17)26-7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24)
InChIKeyQIQSQCHPVSWQQD-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 46770916
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
(2R)-2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 41187411
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 132662629
(2R)-N-benzyl-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 9201112
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43117629
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-ethylphenoxy)propanamide
CID 133239783
2-(2-ethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133239774

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide (CID 43907670) is N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide is CCOc1ccc(CNC(=O)C(C)Oc2ccccc2CC)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide?
The InChIKey is QIQSQCHPVSWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-5-18-10-8-9-11-19(18)27-16(4)22(24)23-15-17-12-13-20(25-6-2)21(14-17)26-7-3/h8-14,16H,5-7,15H2,1-4H3,(H,23,24).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide?
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 43907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).