N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide

C16H18N4O5 — CID 155681473

IUPACN-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)N(C)C
InChIInChI=1S/C16H18N4O5/c1-10(19(2)3)15(21)17-11-4-6-12(7-5-11)18-16(22)13-8-9-14(25-13)20(23)24/h4-10H,1-3H3,(H,17,21)(H,18,22)
InChIKeyFGNRWYOXYXADPX-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.33
Rot. Bonds6

About N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 155681473) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID155681473
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC NameN-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)N(C)C
InChIInChI=1S/C16H18N4O5/c1-10(19(2)3)15(21)17-11-4-6-12(7-5-11)18-16(22)13-8-9-14(25-13)20(23)24/h4-10H,1-3H3,(H,17,21)(H,18,22)
InChIKeyFGNRWYOXYXADPX-UHFFFAOYSA-N
XLogP2.33
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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CID 5153997
5-nitro-N-[4-(propylsulfamoyl)phenyl]furan-2-carboxamide
CID 17146702
5-nitro-N-[3-(propan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
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N-(3-acetylphenyl)-5-nitrofuran-2-carboxamide
CID 823973
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CID 60803071

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide (CID 155681473) is N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide is CC(C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1)N(C)C.
What is the InChIKey of N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is FGNRWYOXYXADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-10(19(2)3)15(21)17-11-4-6-12(7-5-11)18-16(22)13-8-9-14(25-13)20(23)24/h4-10H,1-3H3,(H,17,21)(H,18,22).
What are the key properties of N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)propanoylamino]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 155681473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).