N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide

C16H26N2O4 — CID 4686339

IUPACN-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCCCN(CCC(=O)NCCCOC)C(=O)c1ccoc1
InChIInChI=1S/C16H26N2O4/c1-3-4-9-18(16(20)14-7-12-22-13-14)10-6-15(19)17-8-5-11-21-2/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)
InChIKeyYTEMDCPSGSEBGJ-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.06
Rot. Bonds11

About N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide

N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide (PubChem CID 4686339) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
PubChem CID4686339
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide
SMILESCCCCN(CCC(=O)NCCCOC)C(=O)c1ccoc1
InChIInChI=1S/C16H26N2O4/c1-3-4-9-18(16(20)14-7-12-22-13-14)10-6-15(19)17-8-5-11-21-2/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19)
InChIKeyYTEMDCPSGSEBGJ-UHFFFAOYSA-N
XLogP2.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide (CID 4686339) is N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide is CCCCN(CCC(=O)NCCCOC)C(=O)c1ccoc1.
What is the InChIKey of N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
The InChIKey is YTEMDCPSGSEBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-4-9-18(16(20)14-7-12-22-13-14)10-6-15(19)17-8-5-11-21-2/h7,12-13H,3-6,8-11H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide?
N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 4686339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).