N-(4-nitro-2-propan-2-yloxyphenyl)acetamide

C11H14N2O4 — CID 86012496

IUPACN-(4-nitro-2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1OC(C)C
InChIInChI=1S/C11H14N2O4/c1-7(2)17-11-6-9(13(15)16)4-5-10(11)12-8(3)14/h4-7H,1-3H3,(H,12,14)
InChIKeyGHGREZKARFNLSB-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.34
Rot. Bonds4

About N-(4-nitro-2-propan-2-yloxyphenyl)acetamide

N-(4-nitro-2-propan-2-yloxyphenyl)acetamide (PubChem CID 86012496) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(4-nitro-2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-nitro-2-propan-2-yloxyphenyl)acetamide
PubChem CID86012496
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(4-nitro-2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc([N+](=O)[O-])cc1OC(C)C
InChIInChI=1S/C11H14N2O4/c1-7(2)17-11-6-9(13(15)16)4-5-10(11)12-8(3)14/h4-7H,1-3H3,(H,12,14)
InChIKeyGHGREZKARFNLSB-UHFFFAOYSA-N
XLogP2.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.34
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

(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
5-nitro-N-(4-nitrophenyl)-2-propan-2-yloxybenzamide
CID 139678197
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537
N-[2-[2-(difluoromethoxy)-4-nitroanilino]ethyl]acetamide
CID 133467157
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
3-(2-bromo-5-nitrophenoxy)butan-2-one
CID 103011057
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
(2S)-2-[(2-methoxy-4-nitrophenyl)carbamoylamino]propanoic acid
CID 62881546

Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(4-nitro-2-propan-2-yloxyphenyl)acetamide (CID 86012496) is N-(4-nitro-2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(4-nitro-2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(4-nitro-2-propan-2-yloxyphenyl)acetamide is CC(=O)Nc1ccc([N+](=O)[O-])cc1OC(C)C.
What is the InChIKey of N-(4-nitro-2-propan-2-yloxyphenyl)acetamide?
The InChIKey is GHGREZKARFNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(2)17-11-6-9(13(15)16)4-5-10(11)12-8(3)14/h4-7H,1-3H3,(H,12,14).
What are the key properties of N-(4-nitro-2-propan-2-yloxyphenyl)acetamide?
N-(4-nitro-2-propan-2-yloxyphenyl)acetamide has a molecular weight of 238.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitro-2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 86012496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).