N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide

C17H28N2O3 — CID 4174716

IUPACN-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide
SMILESCCCCCNC(=O)CCN(CC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O3/c1-5-7-8-10-18-16(20)9-11-19(6-2)17(21)15-12-13(3)22-14(15)4/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyMDWOUCFTWLKHDR-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.06
Rot. Bonds9

About N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide

N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide (PubChem CID 4174716) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide
PubChem CID4174716
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide
SMILESCCCCCNC(=O)CCN(CC)C(=O)c1cc(C)oc1C
InChIInChI=1S/C17H28N2O3/c1-5-7-8-10-18-16(20)9-11-19(6-2)17(21)15-12-13(3)22-14(15)4/h12H,5-11H2,1-4H3,(H,18,20)
InChIKeyMDWOUCFTWLKHDR-UHFFFAOYSA-N
XLogP3.06
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide (CID 4174716) is N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide is CCCCCNC(=O)CCN(CC)C(=O)c1cc(C)oc1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide?
The InChIKey is MDWOUCFTWLKHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-7-8-10-18-16(20)9-11-19(6-2)17(21)15-12-13(3)22-14(15)4/h12H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide?
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-N-[3-oxo-3-(pentylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 4174716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).