N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide

C23H31NO4 — CID 43876756

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C23H31NO4/c1-6-20(28-19-11-9-16(4)17(5)13-19)23(25)24-15-18-10-12-21(26-7-2)22(14-18)27-8-3/h9-14,20H,6-8,15H2,1-5H3,(H,24,25)
InChIKeyBOEUDYMVYPHSMT-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.57
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide

N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 43876756) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
PubChem CID43876756
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC
InChIInChI=1S/C23H31NO4/c1-6-20(28-19-11-9-16(4)17(5)13-19)23(25)24-15-18-10-12-21(26-7-2)22(14-18)27-8-3/h9-14,20H,6-8,15H2,1-5H3,(H,24,25)
InChIKeyBOEUDYMVYPHSMT-UHFFFAOYSA-N
XLogP4.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43906025
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenoxy)butanamide
CID 92683465
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 53284316
(2S)-2-(3,4-dimethylphenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 94019548
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide (CID 43876756) is N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide is CCOc1ccc(CNC(=O)C(CC)Oc2ccc(C)c(C)c2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is BOEUDYMVYPHSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-6-20(28-19-11-9-16(4)17(5)13-19)23(25)24-15-18-10-12-21(26-7-2)22(14-18)27-8-3/h9-14,20H,6-8,15H2,1-5H3,(H,24,25).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide?
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 385.50 g/mol, XLogP of 4.57, 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-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 43876756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).