N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C20H26N2O3 — CID 31449562

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-15-5-10-18(19(11-15)24-4)25-14-20(23)21-12-16-6-8-17(9-7-16)13-22(2)3/h5-11H,12-14H2,1-4H3,(H,21,23)
InChIKeyYATFEMUUFZVRPS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.76
Rot. Bonds8

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 31449562) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID31449562
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-15-5-10-18(19(11-15)24-4)25-14-20(23)21-12-16-6-8-17(9-7-16)13-22(2)3/h5-11H,12-14H2,1-4H3,(H,21,23)
InChIKeyYATFEMUUFZVRPS-UHFFFAOYSA-N
XLogP2.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
4-[[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 134039174
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18129838
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,5-dimethylphenoxy)acetamide
CID 39971359
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
2-(2,3-dimethoxyphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112978354
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8917733

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 31449562) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is YATFEMUUFZVRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-10-18(19(11-15)24-4)25-14-20(23)21-12-16-6-8-17(9-7-16)13-22(2)3/h5-11H,12-14H2,1-4H3,(H,21,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 31449562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).