2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide

C13H16N2O4 — CID 2874725

IUPAC2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC1CCCO1
InChIInChI=1S/C13H16N2O4/c16-13(14-9-11-5-3-7-19-11)8-10-4-1-2-6-12(10)15(17)18/h1-2,4,6,11H,3,5,7-9H2,(H,14,16)
InChIKeyVZXPHIWIOIILJY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.43
Rot. Bonds5

About 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2874725) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2874725
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC1CCCO1
InChIInChI=1S/C13H16N2O4/c16-13(14-9-11-5-3-7-19-11)8-10-4-1-2-6-12(10)15(17)18/h1-2,4,6,11H,3,5,7-9H2,(H,14,16)
InChIKeyVZXPHIWIOIILJY-UHFFFAOYSA-N
XLogP1.43
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-[(2-nitrobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42426628
2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 69440571
2-nitro-6-[(oxolan-2-ylmethylamino)methyl]benzoic acid
CID 103234743
2-(2-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62541799
2-(2-nitrophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 63063831
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
N-[(2-nitrophenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163634
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
4-methylsulfanyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 17395490
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 2874725) is 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCCO1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VZXPHIWIOIILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-13(14-9-11-5-3-7-19-11)8-10-4-1-2-6-12(10)15(17)18/h1-2,4,6,11H,3,5,7-9H2,(H,14,16).
What are the key properties of 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).