1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one

C11H17NO2 — CID 116556195

IUPAC1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1ccco1
InChIInChI=1S/C11H17NO2/c1-3-9(2)12-8-10(13)7-11-5-4-6-14-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyLJQRPMFLZMMLPI-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.78
Rot. Bonds6

About 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one

1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one (PubChem CID 116556195) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
PubChem CID116556195
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
SMILESCCC(C)NCC(=O)Cc1ccco1
InChIInChI=1S/C11H17NO2/c1-3-9(2)12-8-10(13)7-11-5-4-6-14-11/h4-6,9,12H,3,7-8H2,1-2H3
InChIKeyLJQRPMFLZMMLPI-UHFFFAOYSA-N
XLogP1.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
1-(butan-2-ylamino)-3-(4-tert-butylphenyl)propan-2-one
CID 116556209
4-amino-1-(furan-2-yl)-5,5-dimethylhexan-2-one
CID 116608493
5-(furan-2-yl)-2,4-dioxopentanoic acid
CID 44591401

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one (CID 116556195) is 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one is CCC(C)NCC(=O)Cc1ccco1.
What is the InChIKey of 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one?
The InChIKey is LJQRPMFLZMMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-9(2)12-8-10(13)7-11-5-4-6-14-11/h4-6,9,12H,3,7-8H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one?
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one is sourced from PubChem (CID 116556195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).