N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride

C12H20ClN3O4 — CID 119658346

IUPACN-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc([N+](=O)[O-])o1.Cl
InChIInChI=1S/C12H19N3O4.ClH/c1-8(2)9(13)6-7-14(3)12(16)10-4-5-11(19-10)15(17)18;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKeyPEVIQJDZBGPKJL-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.06
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride (PubChem CID 119658346) has the molecular formula C12H20ClN3O4 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
PubChem CID119658346
Molecular FormulaC12H20ClN3O4
Molecular Weight305.76 g/mol
Exact Mass305.11
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc([N+](=O)[O-])o1.Cl
InChIInChI=1S/C12H19N3O4.ClH/c1-8(2)9(13)6-7-14(3)12(16)10-4-5-11(19-10)15(17)18;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKeyPEVIQJDZBGPKJL-UHFFFAOYSA-N
XLogP2.06
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758
N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
CID 119659936
N-(3-amino-4-methylpentyl)-N,5-dimethyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119659634
N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 112793958
N-(3-amino-4-methylpentyl)-5-chloro-N-methyl-2-nitrobenzamide
CID 81487192
N-(3-amino-4-methylpentyl)-5-methoxy-N-methyl-2-nitrobenzamide;hydrochloride
CID 119657897
N-(2-amino-1-cyclopropylethyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 116651623
N-(2-chloro-3-methoxypropyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 63397993

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride (CID 119658346) is N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1ccc([N+](=O)[O-])o1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride?
The InChIKey is PEVIQJDZBGPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4.ClH/c1-8(2)9(13)6-7-14(3)12(16)10-4-5-11(19-10)15(17)18;/h4-5,8-9H,6-7,13H2,1-3H3;1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119658346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).