4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide

C19H22N2O4 — CID 17422361

IUPAC4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
SMILESCc1cccc(OCCNC(=O)COc2cc(C)ccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O4/c1-13-4-3-5-15(10-13)24-9-8-21-18(22)12-25-17-11-14(2)6-7-16(17)19(20)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyJLVBQVRAFIVANR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.98
Rot. Bonds8

About 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide

4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide (PubChem CID 17422361) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
PubChem CID17422361
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
SMILESCc1cccc(OCCNC(=O)COc2cc(C)ccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O4/c1-13-4-3-5-15(10-13)24-9-8-21-18(22)12-25-17-11-14(2)6-7-16(17)19(20)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyJLVBQVRAFIVANR-UHFFFAOYSA-N
XLogP1.98
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
2-[(6-iodo-3-pyridinyl)oxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 71849880
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682
2-(3-cyanophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9457314
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970024

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide (CID 17422361) is 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide is Cc1cccc(OCCNC(=O)COc2cc(C)ccc2C(N)=O)c1.
What is the InChIKey of 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide?
The InChIKey is JLVBQVRAFIVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-4-3-5-15(10-13)24-9-8-21-18(22)12-25-17-11-14(2)6-7-16(17)19(20)23/h3-7,10-11H,8-9,12H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide?
4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 17422361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).