2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide

C21H26N2O3 — CID 113174118

IUPAC2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-14(2)17-7-9-18(10-8-17)22-21(25)13-23(16(4)24)19-12-15(3)6-11-20(19)26-5/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyRZMNSPKSYMFYPD-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.12
Rot. Bonds6

About 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113174118) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113174118
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)C(C)=O
InChIInChI=1S/C21H26N2O3/c1-14(2)17-7-9-18(10-8-17)22-21(25)13-23(16(4)24)19-12-15(3)6-11-20(19)26-5/h6-12,14H,13H2,1-5H3,(H,22,25)
InChIKeyRZMNSPKSYMFYPD-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113174167
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174178
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113172889
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide
CID 113174733
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113174112
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608
3-(N-acetyl-2-methoxyanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113128795
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(4-acetamido-N-acetylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113175968

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 113174118) is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc(C(C)C)cc1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is RZMNSPKSYMFYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)17-7-9-18(10-8-17)22-21(25)13-23(16(4)24)19-12-15(3)6-11-20(19)26-5/h6-12,14H,13H2,1-5H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113174118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).