(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide

C14H18N2O5 — CID 8558961

IUPAC(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)Oc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-9(2)7-15-14(18)10(3)21-13-5-4-11(8-17)6-12(13)16(19)20/h4-6,8-10H,7H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyXLBRXHSQNNYHCH-SNVBAGLBSA-N
MW294.31 g/mol
LogP1.95
Rot. Bonds7

About (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide

(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 8558961) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
PubChem CID8558961
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@@H](C)Oc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O5/c1-9(2)7-15-14(18)10(3)21-13-5-4-11(8-17)6-12(13)16(19)20/h4-6,8-10H,7H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyXLBRXHSQNNYHCH-SNVBAGLBSA-N
XLogP1.95
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 62116591
2-(4-formyl-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 43244160
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559143
2-(5-fluoro-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 78913154
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559100
(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559266
2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
CID 62114325
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
(E)-3-[4-[1-(methylamino)-1-oxopropan-2-yl]oxy-3-nitrophenyl]prop-2-enoic acid
CID 43137799

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide (CID 8558961) is (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@@H](C)Oc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is XLBRXHSQNNYHCH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(2)7-15-14(18)10(3)21-13-5-4-11(8-17)6-12(13)16(19)20/h4-6,8-10H,7H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide?
(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 294.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 8558961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).