N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

C20H18N2O6 — CID 30138207

IUPACN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1
InChIInChI=1S/C20H18N2O6/c23-18(14-6-8-16(9-7-14)22(25)26)12-21-20(24)19-15(10-11-27-19)13-28-17-4-2-1-3-5-17/h1-11,18,23H,12-13H2,(H,21,24)/t18-/m0/s1
InChIKeyUCUFWDOGLHJZCT-SFHVURJKSA-N
MW382.37 g/mol
LogP3.23
Rot. Bonds8

About N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 30138207) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID30138207
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1
InChIInChI=1S/C20H18N2O6/c23-18(14-6-8-16(9-7-14)22(25)26)12-21-20(24)19-15(10-11-27-19)13-28-17-4-2-1-3-5-17/h1-11,18,23H,12-13H2,(H,21,24)/t18-/m0/s1
InChIKeyUCUFWDOGLHJZCT-SFHVURJKSA-N
XLogP3.23
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.23
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

N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 31617514
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 43060812
N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 30138207) is N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is UCUFWDOGLHJZCT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O6/c23-18(14-6-8-16(9-7-14)22(25)26)12-21-20(24)19-15(10-11-27-19)13-28-17-4-2-1-3-5-17/h1-11,18,23H,12-13H2,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 30138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).