2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide

C20H26N2O2 — CID 54829924

IUPAC2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
SMILESCCC(C)Oc1cccc(NCC(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-4-16(3)24-19-13-9-10-17(14-19)21-15-20(23)22(5-2)18-11-7-6-8-12-18/h6-14,16,21H,4-5,15H2,1-3H3
InChIKeyATGDEHXTLNGFSU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.33
Rot. Bonds8

About 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide

2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide (PubChem CID 54829924) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
PubChem CID54829924
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide
SMILESCCC(C)Oc1cccc(NCC(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C20H26N2O2/c1-4-16(3)24-19-13-9-10-17(14-19)21-15-20(23)22(5-2)18-11-7-6-8-12-18/h6-14,16,21H,4-5,15H2,1-3H3
InChIKeyATGDEHXTLNGFSU-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
2-(3-acetamidoanilino)-N-ethyl-N-phenylacetamide
CID 37176169
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
N-tert-butyl-3-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 54844457
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide (CID 54829924) is 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide is CCC(C)Oc1cccc(NCC(=O)N(CC)c2ccccc2)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide?
The InChIKey is ATGDEHXTLNGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-16(3)24-19-13-9-10-17(14-19)21-15-20(23)22(5-2)18-11-7-6-8-12-18/h6-14,16,21H,4-5,15H2,1-3H3.
What are the key properties of 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide?
2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide has a molecular weight of 326.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 54829924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).