N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C21H26N2O3 — CID 54828585

IUPACN-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-3-7-16(2)21(15)23-20(24)13-22-17-8-4-9-18(12-17)26-14-19-10-5-11-25-19/h3-4,6-9,12,19,22H,5,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyOXSOXPODNPIOOB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.91
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828585) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828585
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-3-7-16(2)21(15)23-20(24)13-22-17-8-4-9-18(12-17)26-14-19-10-5-11-25-19/h3-4,6-9,12,19,22H,5,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyOXSOXPODNPIOOB-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

Analyze N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
N-tert-butyl-3-[[2-[3-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54828594

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828585) is N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is Cc1cccc(C)c1NC(=O)CNc1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is OXSOXPODNPIOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-3-7-16(2)21(15)23-20(24)13-22-17-8-4-9-18(12-17)26-14-19-10-5-11-25-19/h3-4,6-9,12,19,22H,5,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(2,6-dimethylphenyl)-2-[3-(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-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).