1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one

C16H24N2O2 — CID 62329429

IUPAC1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2cccc(OC(C)CC)c2)C1=O
InChIInChI=1S/C16H24N2O2/c1-4-12(3)20-14-8-6-7-13(11-14)18-10-9-15(16(18)19)17-5-2/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3
InChIKeyAYCRMGCKVDBJCQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.58
Rot. Bonds6

About 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one

1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one (PubChem CID 62329429) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
PubChem CID62329429
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one
SMILESCCNC1CCN(c2cccc(OC(C)CC)c2)C1=O
InChIInChI=1S/C16H24N2O2/c1-4-12(3)20-14-8-6-7-13(11-14)18-10-9-15(16(18)19)17-5-2/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3
InChIKeyAYCRMGCKVDBJCQ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one?
The IUPAC name of 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one (CID 62329429) is 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one is CCNC1CCN(c2cccc(OC(C)CC)c2)C1=O.
What is the InChIKey of 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one?
The InChIKey is AYCRMGCKVDBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-12(3)20-14-8-6-7-13(11-14)18-10-9-15(16(18)19)17-5-2/h6-8,11-12,15,17H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one?
1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyphenyl)-3-(ethylamino)pyrrolidin-2-one is sourced from PubChem (CID 62329429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).