2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

C19H22N2O4 — CID 134060695

IUPAC2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-17-10-8-15(9-11-17)14(3)20-19(22)12-16-6-4-5-7-18(16)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22)
InChIKeyCHMFRMQPFWAZKJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.80
Rot. Bonds7

About 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 134060695) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID134060695
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H22N2O4/c1-13(2)25-17-10-8-15(9-11-17)14(3)20-19(22)12-16-6-4-5-7-18(16)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22)
InChIKeyCHMFRMQPFWAZKJ-UHFFFAOYSA-N
XLogP3.80
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.80
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-nitrophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92672267
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 42997256
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-nitrophenyl)acetate
CID 2479585
2-(2-nitrophenyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 26419609
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
CID 43907892
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
(2-nitrophenyl)methyl 4-propan-2-yloxybenzoate
CID 7193290
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 134060695) is 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(C(C)NC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is CHMFRMQPFWAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(2)25-17-10-8-15(9-11-17)14(3)20-19(22)12-16-6-4-5-7-18(16)21(23)24/h4-11,13-14H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 134060695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).