N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide

C19H22N2O4 — CID 46637977

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H22N2O4/c1-14-10-15(2)12-18(11-14)25-9-8-20(3)19(22)13-16-4-6-17(7-5-16)21(23)24/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyONBBPUZNFIIMEY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide (PubChem CID 46637977) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
PubChem CID46637977
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C19H22N2O4/c1-14-10-15(2)12-18(11-14)25-9-8-20(3)19(22)13-16-4-6-17(7-5-16)21(23)24/h4-7,10-12H,8-9,13H2,1-3H3
InChIKeyONBBPUZNFIIMEY-UHFFFAOYSA-N
XLogP3.29
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
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

N-[3-(dimethylamino)propyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 69063860
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376
N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 18119275
N-(2-hydroxypropyl)-N-methyl-2-(4-nitrophenyl)acetamide
CID 62332693
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
3,5-bis[2-[methyl-[(4-nitrophenyl)methoxycarbonyl]amino]ethoxy]benzoic acid
CID 87516797
4-chloro-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 46629079
4-[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 26995365
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 43010406
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 46631601
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide (CID 46637977) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide is Cc1cc(C)cc(OCCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide?
The InChIKey is ONBBPUZNFIIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-10-15(2)12-18(11-14)25-9-8-20(3)19(22)13-16-4-6-17(7-5-16)21(23)24/h4-7,10-12H,8-9,13H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 46637977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).