N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C20H17N3O7 — CID 1371788

IUPACN-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H17N3O7/c1-28-18-11-13(4-9-16(18)22-20(25)17-3-2-10-29-17)21-19(24)12-30-15-7-5-14(6-8-15)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYNKSUBWSGFISLX-UHFFFAOYSA-N
MW411.37 g/mol
LogP3.47
Rot. Bonds8

About N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1371788) has the molecular formula C20H17N3O7 and a molecular weight of 411.37 g/mol. Its IUPAC name is N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1371788
Molecular FormulaC20H17N3O7
Molecular Weight411.37 g/mol
Exact Mass411.11
IUPAC NameN-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C20H17N3O7/c1-28-18-11-13(4-9-16(18)22-20(25)17-3-2-10-29-17)21-19(24)12-30-15-7-5-14(6-8-15)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25)
InChIKeyYNKSUBWSGFISLX-UHFFFAOYSA-N
XLogP3.47
TPSA132.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 1371788) is N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is YNKSUBWSGFISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O7/c1-28-18-11-13(4-9-16(18)22-20(25)17-3-2-10-29-17)21-19(24)12-30-15-7-5-14(6-8-15)23(26)27/h2-11H,12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 411.37 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1371788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).