2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C23H30N2O4 — CID 54830103

IUPAC2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H30N2O4/c1-3-17(2)29-19-9-6-8-18(14-19)24-15-23(26)25-21-11-4-5-12-22(21)28-16-20-10-7-13-27-20/h4-6,8-9,11-12,14,17,20,24H,3,7,10,13,15-16H2,1-2H3,(H,25,26)
InChIKeyHBGHCTQDRVEPFV-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.47
Rot. Bonds10

About 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54830103) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54830103
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESCCC(C)Oc1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1
InChIInChI=1S/C23H30N2O4/c1-3-17(2)29-19-9-6-8-18(14-19)24-15-23(26)25-21-11-4-5-12-22(21)28-16-20-10-7-13-27-20/h4-6,8-9,11-12,14,17,20,24H,3,7,10,13,15-16H2,1-2H3,(H,25,26)
InChIKeyHBGHCTQDRVEPFV-UHFFFAOYSA-N
XLogP4.47
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54840337
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
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-[4-(oxolan-2-ylmethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54821459
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
2-(3-chloro-2-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54812939
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829537

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54830103) is 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is CCC(C)Oc1cccc(NCC(=O)Nc2ccccc2OCC2CCCO2)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is HBGHCTQDRVEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-17(2)29-19-9-6-8-18(14-19)24-15-23(26)25-21-11-4-5-12-22(21)28-16-20-10-7-13-27-20/h4-6,8-9,11-12,14,17,20,24H,3,7,10,13,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54830103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).