5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide

C14H23BrN2O2 — CID 102993497

IUPAC5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O2/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(15)19-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLALAGNHBHHNYJV-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.24
Rot. Bonds8

About 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide

5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide (PubChem CID 102993497) has the molecular formula C14H23BrN2O2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
PubChem CID102993497
Molecular FormulaC14H23BrN2O2
Molecular Weight331.25 g/mol
Exact Mass330.09
IUPAC Name5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H23BrN2O2/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(15)19-12/h8-9H,4-7,10-11H2,1-3H3
InChIKeyLALAGNHBHHNYJV-UHFFFAOYSA-N
XLogP3.24
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 60653081
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
3-bromo-N-[3-(diethylamino)propyl]-N-ethyl-2-methylbenzamide
CID 102993518
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide (CID 102993497) is 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide is CCN(CC)CCCN(CC)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide?
The InChIKey is LALAGNHBHHNYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2/c1-4-16(5-2)10-7-11-17(6-3)14(18)12-8-9-13(15)19-12/h8-9H,4-7,10-11H2,1-3H3.
What are the key properties of 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide?
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide has a molecular weight of 331.25 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 102993497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).