2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone

C16H24N2O2 — CID 62328413

IUPAC2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCCC(C)Oc1cccc(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-13(2)20-15-8-6-7-14(11-15)17-12-16(19)18-9-4-5-10-18/h6-8,11,13,17H,3-5,9-10,12H2,1-2H3
InChIKeyFCLQYRFEZGEFPF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.90
Rot. Bonds6

About 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone

2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone (PubChem CID 62328413) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
PubChem CID62328413
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
SMILESCCC(C)Oc1cccc(NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-13(2)20-15-8-6-7-14(11-15)17-12-16(19)18-9-4-5-10-18/h6-8,11,13,17H,3-5,9-10,12H2,1-2H3
InChIKeyFCLQYRFEZGEFPF-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butan-2-yloxyanilino)-1-morpholin-4-ylethanone
CID 54830369
1-(azepan-1-yl)-2-(3-propoxyanilino)ethanone
CID 54824937
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
ethyl 1-[2-(3-propan-2-yloxyanilino)acetyl]piperidine-4-carboxylate
CID 54830182
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone (CID 62328413) is 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone is CCC(C)Oc1cccc(NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone?
The InChIKey is FCLQYRFEZGEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13(2)20-15-8-6-7-14(11-15)17-12-16(19)18-9-4-5-10-18/h6-8,11,13,17H,3-5,9-10,12H2,1-2H3.
What are the key properties of 2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone?
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 2.90, 6 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)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 62328413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).