N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide

C21H27N3O2 — CID 24583329

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)18-7-5-6-8-19(18)22-13-21(26)24(4)14-20(25)23-17-11-9-16(3)10-12-17/h5-12,15,22H,13-14H2,1-4H3,(H,23,25)
InChIKeyBBCFZFCWOCIOAP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.63
Rot. Bonds7

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide (PubChem CID 24583329) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide
PubChem CID24583329
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CNc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)18-7-5-6-8-19(18)22-13-21(26)24(4)14-20(25)23-17-11-9-16(3)10-12-17/h5-12,15,22H,13-14H2,1-4H3,(H,23,25)
InChIKeyBBCFZFCWOCIOAP-UHFFFAOYSA-N
XLogP3.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821
2-(3,5-difluoroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 24562343
ethyl 4-[[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate
CID 24614987
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863
N-(3-chloro-4-fluorophenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823258
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
CID 55637611
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-benzyl-4-[[2-(2-propan-2-ylanilino)acetyl]amino]benzamide
CID 54823265

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide (CID 24583329) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CNc2ccccc2C(C)C)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide?
The InChIKey is BBCFZFCWOCIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)18-7-5-6-8-19(18)22-13-21(26)24(4)14-20(25)23-17-11-9-16(3)10-12-17/h5-12,15,22H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 24583329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).