N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide

C21H27NO4 — CID 35366389

IUPACN-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C21H27NO4/c1-5-6-11-25-19-10-9-17(24-4)13-18(19)22-21(23)14-26-20-12-15(2)7-8-16(20)3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23)
InChIKeyNSDBFZACNGCFQR-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.51
Rot. Bonds9

About N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide

N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide (PubChem CID 35366389) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
PubChem CID35366389
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C21H27NO4/c1-5-6-11-25-19-10-9-17(24-4)13-18(19)22-21(23)14-26-20-12-15(2)7-8-16(20)3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23)
InChIKeyNSDBFZACNGCFQR-UHFFFAOYSA-N
XLogP4.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
N-(2,5-diethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 31526543
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2,5-dimethoxyphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 7962700
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 119715039
2-(4-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)acetamide;hydrochloride
CID 119715038
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 1342326

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide (CID 35366389) is N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide is CCCCOc1ccc(OC)cc1NC(=O)COc1cc(C)ccc1C.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
The InChIKey is NSDBFZACNGCFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-6-11-25-19-10-9-17(24-4)13-18(19)22-21(23)14-26-20-12-15(2)7-8-16(20)3/h7-10,12-13H,5-6,11,14H2,1-4H3,(H,22,23).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide?
N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide has a molecular weight of 357.45 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-2-(2,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 35366389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).