N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide

C20H26N2O3 — CID 30567589

IUPACN-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)15-8-6-7-9-16(15)22-19(23)13-21-17-11-10-14(24-4)12-18(17)25-5/h6-12,21H,13H2,1-5H3,(H,22,23)
InChIKeyJNWSFEILKMVNMA-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.05
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide

N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide (PubChem CID 30567589) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
PubChem CID30567589
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-20(2,3)15-8-6-7-9-16(15)22-19(23)13-21-17-11-10-14(24-4)12-18(17)25-5/h6-12,21H,13H2,1-5H3,(H,22,23)
InChIKeyJNWSFEILKMVNMA-UHFFFAOYSA-N
XLogP4.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 32736215
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-[2-(difluoromethylsulfanyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 17395137
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
N-(2,4-dimethoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082798
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113174598
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide (CID 30567589) is N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccccc2C(C)(C)C)c(OC)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide?
The InChIKey is JNWSFEILKMVNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-20(2,3)15-8-6-7-9-16(15)22-19(23)13-21-17-11-10-14(24-4)12-18(17)25-5/h6-12,21H,13H2,1-5H3,(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide?
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide is sourced from PubChem (CID 30567589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).