N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide

C20H24N2O3 — CID 42997256

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-20(23)13-18-6-4-5-7-19(18)22(24)25/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCHVXWFVNJAVDRA-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.21
Rot. Bonds7

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide (PubChem CID 42997256) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
PubChem CID42997256
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-20(23)13-18-6-4-5-7-19(18)22(24)25/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCHVXWFVNJAVDRA-UHFFFAOYSA-N
XLogP4.21
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.21
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

2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060695
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-nitrobenzoate
CID 7464180
2-(2-fluorophenyl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7936631
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-nitrophenyl)acetate
CID 2479585
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide (CID 42997256) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide is CC(C)Cc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is CHVXWFVNJAVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)21-20(23)13-18-6-4-5-7-19(18)22(24)25/h4-11,14-15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 42997256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).