5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide

C11H15N3O5 — CID 112759087

IUPAC5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15N3O5/c1-7(2)13-9(15)5-6-12-11(16)8-3-4-10(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyDWKLNSIOSJMBEE-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.83
Rot. Bonds6

About 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide

5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide (PubChem CID 112759087) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
PubChem CID112759087
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H15N3O5/c1-7(2)13-9(15)5-6-12-11(16)8-3-4-10(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,15)
InChIKeyDWKLNSIOSJMBEE-UHFFFAOYSA-N
XLogP0.83
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.83
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-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-butan-2-yl-5-nitrofuran-2-carboxamide
CID 4273319
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
2-hydroxy-4-[(5-nitrofuran-2-carbonyl)amino]butanoic acid
CID 114006197
N-(6-hydroxyhexyl)-5-nitrofuran-2-carboxamide
CID 103919565
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
5-nitro-N-(2-sulfamoylethyl)furan-2-carboxamide
CID 61129714
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
N-(2-chloro-4-methylpentyl)-5-nitrofuran-2-carboxamide
CID 107157274
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]-5-nitrofuran-2-carboxamide
CID 51082850

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide (CID 112759087) is 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide is CC(C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide?
The InChIKey is DWKLNSIOSJMBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(2)13-9(15)5-6-12-11(16)8-3-4-10(19-8)14(17)18/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,15).
What are the key properties of 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide?
5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[3-oxo-3-(propan-2-ylamino)propyl]furan-2-carboxamide is sourced from PubChem (CID 112759087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).