N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide

C11H17N3O4 — CID 63887141

IUPACN-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H17N3O4/c1-7(2)5-8(6-12)13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15)
InChIKeySBDHAEZIOVFABN-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.29
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide (PubChem CID 63887141) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
PubChem CID63887141
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H17N3O4/c1-7(2)5-8(6-12)13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15)
InChIKeySBDHAEZIOVFABN-UHFFFAOYSA-N
XLogP1.29
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
CID 107157274
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119585925
N-(1-bromo-3-methoxypropan-2-yl)-5-nitrofuran-2-carboxamide
CID 106184442
tert-butyl (2R)-2-[(5-nitrofuran-2-carbonyl)amino]propanoate
CID 81003533
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
CID 112759087
N-(4-hydroxy-4-phenylbutan-2-yl)-5-nitrofuran-2-carboxamide
CID 75381752
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
(2R)-3,3-dimethyl-2-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 93054958
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide (CID 63887141) is N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide is CC(C)CC(CN)NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is SBDHAEZIOVFABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7(2)5-8(6-12)13-11(15)9-3-4-10(18-9)14(16)17/h3-4,7-8H,5-6,12H2,1-2H3,(H,13,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 63887141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).