N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide

C18H20N2O5 — CID 927147

IUPACN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C18H20N2O5/c1-12(2)14-6-4-5-7-16(14)25-11-18(21)19-15-10-13(20(22)23)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyBIADHOUCMFCZRU-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.74
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 927147) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID927147
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C18H20N2O5/c1-12(2)14-6-4-5-7-16(14)25-11-18(21)19-15-10-13(20(22)23)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyBIADHOUCMFCZRU-UHFFFAOYSA-N
XLogP3.74
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.74
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

N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188306
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782632
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 5415947
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19170128
N-(2-methoxy-5-nitrophenyl)-2-(4-nitro-2-prop-2-enylphenoxy)acetamide
CID 7578310
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-[(4-nitrophenyl)carbamothioyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19188289
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 927147) is N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is BIADHOUCMFCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(2)14-6-4-5-7-16(14)25-11-18(21)19-15-10-13(20(22)23)8-9-17(15)24-3/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 927147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).