N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide

C12H19BrN2O2 — CID 119659763

IUPACN-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-8(2)10(14)4-6-15(3)12(16)11-9(13)5-7-17-11/h5,7-8,10H,4,6,14H2,1-3H3
InChIKeyIMJDBJBNJYOTNF-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.49
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide

N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide (PubChem CID 119659763) has the molecular formula C12H19BrN2O2 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
PubChem CID119659763
Molecular FormulaC12H19BrN2O2
Molecular Weight303.20 g/mol
Exact Mass302.06
IUPAC NameN-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1occc1Br
InChIInChI=1S/C12H19BrN2O2/c1-8(2)10(14)4-6-15(3)12(16)11-9(13)5-7-17-11/h5,7-8,10H,4,6,14H2,1-3H3
InChIKeyIMJDBJBNJYOTNF-UHFFFAOYSA-N
XLogP2.49
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide (CID 119659763) is N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide is CC(C)C(N)CCN(C)C(=O)c1occc1Br.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide?
The InChIKey is IMJDBJBNJYOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O2/c1-8(2)10(14)4-6-15(3)12(16)11-9(13)5-7-17-11/h5,7-8,10H,4,6,14H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide?
N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-bromo-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119659763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).