2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide

C16H26N2O3 — CID 4153616

IUPAC2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeyLVFNMPCWWQSFOA-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.66
Rot. Bonds7

About 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide

2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide (PubChem CID 4153616) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
PubChem CID4153616
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
SMILESCCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19)
InChIKeyLVFNMPCWWQSFOA-UHFFFAOYSA-N
XLogP2.66
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide (CID 4153616) is 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide is CCCNC(=O)CCN(C(=O)c1cc(C)oc1C)C(C)C.
What is the InChIKey of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is LVFNMPCWWQSFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-8-17-15(19)7-9-18(11(2)3)16(20)14-10-12(4)21-13(14)5/h10-11H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide?
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 4153616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).