1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one

C17H23NO2 — CID 134414126

IUPAC1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one
SMILESCCC(=O)Cc1ccc2cc(CCNC(C)C)oc2c1
InChIInChI=1S/C17H23NO2/c1-4-15(19)9-13-5-6-14-11-16(20-17(14)10-13)7-8-18-12(2)3/h5-6,10-12,18H,4,7-9H2,1-3H3
InChIKeySRHYWFCIWXHWRV-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.49
Rot. Bonds7

About 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one

1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one (PubChem CID 134414126) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one.

Molecular Properties

Compound Name1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one
PubChem CID134414126
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one
SMILESCCC(=O)Cc1ccc2cc(CCNC(C)C)oc2c1
InChIInChI=1S/C17H23NO2/c1-4-15(19)9-13-5-6-14-11-16(20-17(14)10-13)7-8-18-12(2)3/h5-6,10-12,18H,4,7-9H2,1-3H3
InChIKeySRHYWFCIWXHWRV-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one?
The IUPAC name of 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one (CID 134414126) is 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one.
What is the SMILES notation for 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one?
The canonical SMILES for 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one is CCC(=O)Cc1ccc2cc(CCNC(C)C)oc2c1.
What is the InChIKey of 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one?
The InChIKey is SRHYWFCIWXHWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-15(19)9-13-5-6-14-11-16(20-17(14)10-13)7-8-18-12(2)3/h5-6,10-12,18H,4,7-9H2,1-3H3.
What are the key properties of 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one?
1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one is sourced from PubChem (CID 134414126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).