2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide

C18H22N2O2 — CID 39419759

IUPAC2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)22-17-9-7-15(8-10-17)20-18(21)12-19-16-6-4-5-14(3)11-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyLQVGVBYZKYVEAJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.83
Rot. Bonds6

About 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide

2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 39419759) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID39419759
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)22-17-9-7-15(8-10-17)20-18(21)12-19-16-6-4-5-14(3)11-16/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyLQVGVBYZKYVEAJ-UHFFFAOYSA-N
XLogP3.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822316
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide (CID 39419759) is 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide is Cc1cccc(NCC(=O)Nc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is LQVGVBYZKYVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)22-17-9-7-15(8-10-17)20-18(21)12-19-16-6-4-5-14(3)11-16/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 39419759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).