2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

C20H22N2O5 — CID 69440571

IUPAC2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)NCC1CCCO1
InChIInChI=1S/C20H22N2O5/c23-20(21-13-17-7-4-10-26-17)12-16-8-9-18(22(24)25)19(11-16)27-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,21,23)
InChIKeyWHDBXUMISAUVRF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.01
Rot. Bonds8

About 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 69440571) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID69440571
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)NCC1CCCO1
InChIInChI=1S/C20H22N2O5/c23-20(21-13-17-7-4-10-26-17)12-16-8-9-18(22(24)25)19(11-16)27-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,21,23)
InChIKeyWHDBXUMISAUVRF-UHFFFAOYSA-N
XLogP3.01
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.01
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

2-(2-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 717198
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725
2-(4-nitro-3-phenylmethoxyphenyl)acetyl chloride
CID 54561819
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
3-[[2-(2-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202329
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
3-fluoro-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 55103551
(Z)-2-cyano-3-[2-[(4-nitrophenyl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 1117775

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 69440571) is 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)NCC1CCCO1.
What is the InChIKey of 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is WHDBXUMISAUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-20(21-13-17-7-4-10-26-17)12-16-8-9-18(22(24)25)19(11-16)27-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,21,23).
What are the key properties of 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitro-3-phenylmethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 69440571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).