N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C21H26N2O4 — CID 54828489

IUPACN-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCOc1ccccc1NC(=O)CNc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H26N2O4/c1-2-25-20-11-4-3-10-19(20)23-21(24)14-22-16-7-5-8-17(13-16)27-15-18-9-6-12-26-18/h3-5,7-8,10-11,13,18,22H,2,6,9,12,14-15H2,1H3,(H,23,24)
InChIKeyOPKYVTRBMQGGCO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.69
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 54828489) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID54828489
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCCOc1ccccc1NC(=O)CNc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H26N2O4/c1-2-25-20-11-4-3-10-19(20)23-21(24)14-22-16-7-5-8-17(13-16)27-15-18-9-6-12-26-18/h3-5,7-8,10-11,13,18,22H,2,6,9,12,14-15H2,1H3,(H,23,24)
InChIKeyOPKYVTRBMQGGCO-UHFFFAOYSA-N
XLogP3.69
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 54828489) is N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is CCOc1ccccc1NC(=O)CNc1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is OPKYVTRBMQGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-2-25-20-11-4-3-10-19(20)23-21(24)14-22-16-7-5-8-17(13-16)27-15-18-9-6-12-26-18/h3-5,7-8,10-11,13,18,22H,2,6,9,12,14-15H2,1H3,(H,23,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 54828489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).