N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

C19H24N2O2 — CID 54822316

IUPACN-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-18-7-5-16(6-8-18)20-12-19(22)21-17-10-14(3)9-15(4)11-17/h5-11,13,20H,12H2,1-4H3,(H,21,22)
InChIKeyJQNRZRQPTCRHBY-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.14
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide

N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (PubChem CID 54822316) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
PubChem CID54822316
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-18-7-5-16(6-8-18)20-12-19(22)21-17-10-14(3)9-15(4)11-17/h5-11,13,20H,12H2,1-4H3,(H,21,22)
InChIKeyJQNRZRQPTCRHBY-UHFFFAOYSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
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
N-(3,5-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821441
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide (CID 54822316) is N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is Cc1cc(C)cc(NC(=O)CNc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
The InChIKey is JQNRZRQPTCRHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)23-18-7-5-16(6-8-18)20-12-19(22)21-17-10-14(3)9-15(4)11-17/h5-11,13,20H,12H2,1-4H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide?
N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide has a molecular weight of 312.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 54822316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).