N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide

C20H26N2O — CID 108997202

IUPACN-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
SMILESCc1ccc(CNC(=O)CNc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-16(4)20(18)22-13-19(23)21-12-17-10-8-15(3)9-11-17/h5-11,14,22H,12-13H2,1-4H3,(H,21,23)
InChIKeyTVEAZIMQKAJYNM-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.16
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide

N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide (PubChem CID 108997202) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
PubChem CID108997202
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide
SMILESCc1ccc(CNC(=O)CNc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O/c1-14(2)18-7-5-6-16(4)20(18)22-13-19(23)21-12-17-10-8-15(3)9-11-17/h5-11,14,22H,12-13H2,1-4H3,(H,21,23)
InChIKeyTVEAZIMQKAJYNM-UHFFFAOYSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-6-propan-2-ylanilino)-N-propan-2-ylacetamide
CID 108992863
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
methyl 4-[[2-(2-methyl-6-propan-2-ylanilino)acetyl]amino]benzoate
CID 109008109
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
2-(2-ethyl-6-methylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996936
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998486
2-(2,6-dimethylanilino)-N-[2-(2-methylpropylamino)-2-oxoethyl]acetamide
CID 71998712
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(2,6-dimethylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 46761712
2-(2-bromoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33161602

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide (CID 108997202) is N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide is Cc1ccc(CNC(=O)CNc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide?
The InChIKey is TVEAZIMQKAJYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-14(2)18-7-5-6-16(4)20(18)22-13-19(23)21-12-17-10-8-15(3)9-11-17/h5-11,14,22H,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide?
N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide has a molecular weight of 310.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-methyl-6-propan-2-ylanilino)acetamide is sourced from PubChem (CID 108997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).