5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide

C15H24BrNO2 — CID 60653081

IUPAC5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H24BrNO2/c1-11(2)7-9-17(10-8-12(3)4)15(18)13-5-6-14(16)19-13/h5-6,11-12H,7-10H2,1-4H3
InChIKeyAKESXPYEQBIFFC-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.58
Rot. Bonds7

About 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide

5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide (PubChem CID 60653081) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
PubChem CID60653081
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C15H24BrNO2/c1-11(2)7-9-17(10-8-12(3)4)15(18)13-5-6-14(16)19-13/h5-6,11-12H,7-10H2,1-4H3
InChIKeyAKESXPYEQBIFFC-UHFFFAOYSA-N
XLogP4.58
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 112771490
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-bromo-N,N-dibutylfuran-2-carboxamide
CID 3627667
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
5-bromo-N-(2-chloroethyl)-N-propan-2-ylfuran-2-carboxamide
CID 63393502
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide (CID 60653081) is 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide?
The InChIKey is AKESXPYEQBIFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-11(2)7-9-17(10-8-12(3)4)15(18)13-5-6-14(16)19-13/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide?
5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-bis(3-methylbutyl)furan-2-carboxamide is sourced from PubChem (CID 60653081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).