(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide

C12H14N2O4 — CID 9205576

IUPAC(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O4/c1-3-8-13-12(15)9(2)18-11-7-5-4-6-10(11)14(16)17/h3-7,9H,1,8H2,2H3,(H,13,15)/t9-/m1/s1
InChIKeyKUMXJFYXMCJNNM-SECBINFHSA-N
MW250.25 g/mol
LogP1.66
Rot. Bonds6

About (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide

(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide (PubChem CID 9205576) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
PubChem CID9205576
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O4/c1-3-8-13-12(15)9(2)18-11-7-5-4-6-10(11)14(16)17/h3-7,9H,1,8H2,2H3,(H,13,15)/t9-/m1/s1
InChIKeyKUMXJFYXMCJNNM-SECBINFHSA-N
XLogP1.66
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-fluoro-2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 78913287
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-(furan-2-ylmethyl)-2-(2-nitrophenoxy)propanamide
CID 4943832
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide (CID 9205576) is (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide?
The InChIKey is KUMXJFYXMCJNNM-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-8-13-12(15)9(2)18-11-7-5-4-6-10(11)14(16)17/h3-7,9H,1,8H2,2H3,(H,13,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide?
(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide has a molecular weight of 250.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 9205576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).