N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide

C18H21NO4 — CID 19174454

IUPACN-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C18H21NO4/c1-12-7-13(2)9-15(8-12)23-11-18(20)19-14-5-6-16(21-3)17(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyCVODXINLPUSFMS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.34
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide

N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 19174454) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
PubChem CID19174454
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C18H21NO4/c1-12-7-13(2)9-15(8-12)23-11-18(20)19-14-5-6-16(21-3)17(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyCVODXINLPUSFMS-UHFFFAOYSA-N
XLogP3.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2711600
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(3,5-dimethylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478526
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide (CID 19174454) is N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide is COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is CVODXINLPUSFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-7-13(2)9-15(8-12)23-11-18(20)19-14-5-6-16(21-3)17(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide?
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 315.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 19174454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).