N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide

C22H28N2O3 — CID 55771096

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-22(26)24(3)15-21(25)23-19-6-5-7-20(14-19)27-4/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,25)
InChIKeyJSUAUBAYYAQZSO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds8

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 55771096) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
PubChem CID55771096
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-22(26)24(3)15-21(25)23-19-6-5-7-20(14-19)27-4/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,25)
InChIKeyJSUAUBAYYAQZSO-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7936435
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylpropanamide
CID 31973261
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 7936687
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
N-(3-methoxyphenyl)-2-[[2-(3-methoxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 35041592
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
CID 36568159
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 25163748

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide (CID 55771096) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide is COc1cccc(NC(=O)CN(C)C(=O)CCc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is JSUAUBAYYAQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-22(26)24(3)15-21(25)23-19-6-5-7-20(14-19)27-4/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 55771096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).