N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

C21H26N2O3 — CID 54821256

IUPACN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-5-10-20(16(2)12-15)23-21(24)13-22-17-6-8-18(9-7-17)26-14-19-4-3-11-25-19/h5-10,12,19,22H,3-4,11,13-14H2,1-2H3,(H,23,24)
InChIKeyGYIKUXPINBAXMD-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.91
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide

N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54821256) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54821256
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-15-5-10-20(16(2)12-15)23-21(24)13-22-17-6-8-18(9-7-17)26-14-19-4-3-11-25-19/h5-10,12,19,22H,3-4,11,13-14H2,1-2H3,(H,23,24)
InChIKeyGYIKUXPINBAXMD-UHFFFAOYSA-N
XLogP3.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.91
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

3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
methyl 4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzoate
CID 54816958
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
N-[4-chloro-3-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54821559
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
N-ethyl-4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54821366
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54821594
propyl 4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzoate
CID 54821487

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54821256) is N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is Cc1ccc(NC(=O)CNc2ccc(OCC3CCCO3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is GYIKUXPINBAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-5-10-20(16(2)12-15)23-21(24)13-22-17-6-8-18(9-7-17)26-14-19-4-3-11-25-19/h5-10,12,19,22H,3-4,11,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54821256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).