N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide

C14H14N2O5 — CID 4943832

IUPACN-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O5/c1-10(14(17)15-9-11-5-4-8-20-11)21-13-7-3-2-6-12(13)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyWJXPAXCOJDJBJD-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.27
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide

N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide (PubChem CID 4943832) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
PubChem CID4943832
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC NameN-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1
InChIInChI=1S/C14H14N2O5/c1-10(14(17)15-9-11-5-4-8-20-11)21-13-7-3-2-6-12(13)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)
InChIKeyWJXPAXCOJDJBJD-UHFFFAOYSA-N
XLogP2.27
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
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

(2R)-N-(furan-2-ylmethyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 40662422
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 9205576
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-methyl-3-nitrobenzoate
CID 8709908
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate
CID 7381956
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(furan-2-ylmethyl)-2-quinolin-8-yloxypropanamide
CID 4781245
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide (CID 4943832) is N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide?
The InChIKey is WJXPAXCOJDJBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-10(14(17)15-9-11-5-4-8-20-11)21-13-7-3-2-6-12(13)16(18)19/h2-8,10H,9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide?
N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide has a molecular weight of 290.27 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 4943832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).