N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide

C21H26N2O4 — CID 1406605

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H26N2O4/c1-13(2)17-7-6-8-18(14(3)4)21(17)22-20(24)12-27-19-10-9-16(23(25)26)11-15(19)5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyBETWLVXHGARTLL-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.17
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406605) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID1406605
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C21H26N2O4/c1-13(2)17-7-6-8-18(14(3)4)21(17)22-20(24)12-27-19-10-9-16(23(25)26)11-15(19)5/h6-11,13-14H,12H2,1-5H3,(H,22,24)
InChIKeyBETWLVXHGARTLL-UHFFFAOYSA-N
XLogP5.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.17
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-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 7990116
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 3280750
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-nitro-4-sulfamoylphenoxy)acetamide
CID 55527923

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide (CID 1406605) is N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is BETWLVXHGARTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)17-7-6-8-18(14(3)4)21(17)22-20(24)12-27-19-10-9-16(23(25)26)11-15(19)5/h6-11,13-14H,12H2,1-5H3,(H,22,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 370.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).