N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide

C22H29NO2 — CID 133162435

IUPACN-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(CC)Oc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO2/c1-5-17-11-12-18(6-2)19(14-17)15-23-22(24)21(7-3)25-20-10-8-9-16(4)13-20/h8-14,21H,5-7,15H2,1-4H3,(H,23,24)
InChIKeyCYKAUGUKZYPKDX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.59
Rot. Bonds8

About N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide

N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide (PubChem CID 133162435) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
PubChem CID133162435
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide
SMILESCCc1ccc(CC)c(CNC(=O)C(CC)Oc2cccc(C)c2)c1
InChIInChI=1S/C22H29NO2/c1-5-17-11-12-18(6-2)19(14-17)15-23-22(24)21(7-3)25-20-10-8-9-16(4)13-20/h8-14,21H,5-7,15H2,1-4H3,(H,23,24)
InChIKeyCYKAUGUKZYPKDX-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(2,5-diethylphenyl)methyl]butanamide
CID 100743652
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2S)-N-[(2,5-diethylphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 100528695
2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)butanamide
CID 4928633
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
N-(3-methylbutyl)-2-(3-methylphenoxy)butanamide
CID 46764187
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide (CID 133162435) is N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide is CCc1ccc(CC)c(CNC(=O)C(CC)Oc2cccc(C)c2)c1.
What is the InChIKey of N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is CYKAUGUKZYPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-17-11-12-18(6-2)19(14-17)15-23-22(24)21(7-3)25-20-10-8-9-16(4)13-20/h8-14,21H,5-7,15H2,1-4H3,(H,23,24).
What are the key properties of N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide?
N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-diethylphenyl)methyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 133162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).