N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide

C18H26N2O3 — CID 71688762

IUPACN-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide
SMILESCCOc1cc(C(=O)NCCCN(CC)CC)cc2occc12
InChIInChI=1S/C18H26N2O3/c1-4-20(5-2)10-7-9-19-18(21)14-12-16(22-6-3)15-8-11-23-17(15)13-14/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,21)
InChIKeyYQFNBUOJXDRRAH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.29
Rot. Bonds9

About N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide

N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide (PubChem CID 71688762) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide
PubChem CID71688762
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide
SMILESCCOc1cc(C(=O)NCCCN(CC)CC)cc2occc12
InChIInChI=1S/C18H26N2O3/c1-4-20(5-2)10-7-9-19-18(21)14-12-16(22-6-3)15-8-11-23-17(15)13-14/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,21)
InChIKeyYQFNBUOJXDRRAH-UHFFFAOYSA-N
XLogP3.29
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.29
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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Related Compounds

1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
2-N,7-N-bis[3-(diethylamino)propyl]-9-oxoxanthene-2,7-dicarboxamide
CID 515386
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
3-amino-5-[3-(diethylamino)propylcarbamoyl]benzoic acid
CID 139900708
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807
N-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]-4-ethoxy-1-benzofuran-6-carboxamide
CID 91947926
4-amino-3-(cyanomethoxy)-N-[3-(diethylamino)propyl]benzamide
CID 82069925

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide (CID 71688762) is N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide is CCOc1cc(C(=O)NCCCN(CC)CC)cc2occc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide?
The InChIKey is YQFNBUOJXDRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20(5-2)10-7-9-19-18(21)14-12-16(22-6-3)15-8-11-23-17(15)13-14/h8,11-13H,4-7,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide?
N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-ethoxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 71688762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).