N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide

C19H24N2O2 — CID 52689431

IUPACN-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
SMILESCOc1ccc(CNC(=O)CN(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-9-15(2)11-17(10-14)21(3)13-19(22)20-12-16-5-7-18(23-4)8-6-16/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyBAGGGQJCPXZCPL-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.06
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide

N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide (PubChem CID 52689431) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
PubChem CID52689431
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide
SMILESCOc1ccc(CNC(=O)CN(C)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H24N2O2/c1-14-9-15(2)11-17(10-14)21(3)13-19(22)20-12-16-5-7-18(23-4)8-6-16/h5-11H,12-13H2,1-4H3,(H,20,22)
InChIKeyBAGGGQJCPXZCPL-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010
2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119912482
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-(N-acetyl-4-ethylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113169241
N-(2-phenoxyethyl)-2-(N,3,5-trimethylanilino)acetamide
CID 60525006
2-[N-(dimethylsulfamoyl)anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2976396

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide (CID 52689431) is N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide is COc1ccc(CNC(=O)CN(C)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide?
The InChIKey is BAGGGQJCPXZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-9-15(2)11-17(10-14)21(3)13-19(22)20-12-16-5-7-18(23-4)8-6-16/h5-11H,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide?
N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(N,3,5-trimethylanilino)acetamide is sourced from PubChem (CID 52689431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).