N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide

C18H20N2O3 — CID 35728569

IUPACN-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-9-5-6-10-15(14)19-17(21)12-13-8-4-7-11-16(13)20(22)23/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyDWJKOELTQRCPIH-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.07
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide

N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 35728569) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID35728569
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-9-5-6-10-15(14)19-17(21)12-13-8-4-7-11-16(13)20(22)23/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyDWJKOELTQRCPIH-UHFFFAOYSA-N
XLogP4.07
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromophenyl)-2-(2-nitrophenyl)acetamide
CID 885126
2-(2-nitrophenyl)-N-(2-phenylphenyl)acetamide
CID 888362
N-(2-benzylphenyl)-2-(2-nitrophenyl)acetamide
CID 26880181
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
2-[[2-(2-nitrophenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34756914
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
N-(2,6-dimethylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384916
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
4-chloro-N-[2-[[2-(2-nitrophenyl)acetyl]amino]phenyl]benzamide
CID 31969807
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide (CID 35728569) is N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide is CC(C)(C)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is DWJKOELTQRCPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)14-9-5-6-10-15(14)19-17(21)12-13-8-4-7-11-16(13)20(22)23/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide?
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 35728569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).