2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide

C14H18N2O5 — CID 2971296

IUPAC2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyRIGKPBKPPIVLOS-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.66
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide

2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2971296) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2971296
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyRIGKPBKPPIVLOS-UHFFFAOYSA-N
XLogP1.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.66
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

5,5-Dimethyl-3-[2-(4-nitrophenoxy)ethyl]-2,4-imidazolidinedione
CID 973553
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
2-(2-chloro-4-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4780067
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
[2-(4-Nitro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10805355
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 806823
N-[4-(acetylamino)phenyl]-2-(4-nitrophenoxy)acetamide
CID 808122
2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 977949
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 977997

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 2971296) is 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is RIGKPBKPPIVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 294.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2971296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).