2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

C22H28N2O3 — CID 18279858

IUPAC2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1cccc(C)c1
InChIInChI=1S/C22H28N2O3/c1-17-8-7-11-20(14-17)27-13-12-24(3)16-22(26)23-21(18(2)25)15-19-9-5-4-6-10-19/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,23,26)
InChIKeyTVYIPDDIDOHVOC-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.62
Rot. Bonds10

About 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (PubChem CID 18279858) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
PubChem CID18279858
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
SMILESCC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1cccc(C)c1
InChIInChI=1S/C22H28N2O3/c1-17-8-7-11-20(14-17)27-13-12-24(3)16-22(26)23-21(18(2)25)15-19-9-5-4-6-10-19/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,23,26)
InChIKeyTVYIPDDIDOHVOC-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4841837
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
[(1R)-1-[3-(3-methylphenoxy)propanoylamino]-2-phenylethyl]boronic acid
CID 174135595
N-[(4-methoxyphenyl)methyl]-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 32614696
2-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 5044252
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222696
N-(4-methoxyphenyl)-2-[methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]amino]acetamide
CID 9222694
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide (CID 18279858) is 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is CC(=O)C(Cc1ccccc1)NC(=O)CN(C)CCOc1cccc(C)c1.
What is the InChIKey of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
The InChIKey is TVYIPDDIDOHVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-8-7-11-20(14-17)27-13-12-24(3)16-22(26)23-21(18(2)25)15-19-9-5-4-6-10-19/h4-11,14,21H,12-13,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide?
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-oxo-1-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 18279858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).