N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide

C14H14N2O6 — CID 95982310

IUPACN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O6/c17-13(10-5-6-12(22-10)16(19)20)15-8-14(18,9-3-4-9)11-2-1-7-21-11/h1-2,5-7,9,18H,3-4,8H2,(H,15,17)/t14-/m0/s1
InChIKeyFDVYYWAWCYTLNW-AWEZNQCLSA-N
MW306.27 g/mol
LogP1.81
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide

N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide (PubChem CID 95982310) has the molecular formula C14H14N2O6 and a molecular weight of 306.27 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
PubChem CID95982310
Molecular FormulaC14H14N2O6
Molecular Weight306.27 g/mol
Exact Mass306.09
IUPAC NameN-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H14N2O6/c17-13(10-5-6-12(22-10)16(19)20)15-8-14(18,9-3-4-9)11-2-1-7-21-11/h1-2,5-7,9,18H,3-4,8H2,(H,15,17)/t14-/m0/s1
InChIKeyFDVYYWAWCYTLNW-AWEZNQCLSA-N
XLogP1.81
TPSA118.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 51.81
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

4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 71781543
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 121085621
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71781506
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide (CID 95982310) is N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide is O=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide?
The InChIKey is FDVYYWAWCYTLNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14N2O6/c17-13(10-5-6-12(22-10)16(19)20)15-8-14(18,9-3-4-9)11-2-1-7-21-11/h1-2,5-7,9,18H,3-4,8H2,(H,15,17)/t14-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide?
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide has a molecular weight of 306.27 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 95982310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).