2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide

C20H25N3O3 — CID 27242216

IUPAC2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)12-21-19(24)13-23(2)14-20(25)22-17-5-4-6-18(11-17)26-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUTLIMCAJNIWICV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds8

About 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide

2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 27242216) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID27242216
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)12-21-19(24)13-23(2)14-20(25)22-17-5-4-6-18(11-17)26-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyUTLIMCAJNIWICV-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
2-[(3-methoxyphenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]acetamide;oxalic acid
CID 24761813
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
N-[(3,4-dimethoxyphenyl)methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8729621
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8786276
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
2-[[2-[[(2R)-butan-2-yl]-[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8556475

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide (CID 27242216) is 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is UTLIMCAJNIWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-7-9-16(10-8-15)12-21-19(24)13-23(2)14-20(25)22-17-5-4-6-18(11-17)26-3/h4-11H,12-14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide?
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 27242216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).