N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide

C20H24N2O4 — CID 51161280

IUPACN-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOc1ccccc1OCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-10-15(2)12-16(11-14)20(24)22-13-19(23)21-8-9-26-18-7-5-4-6-17(18)25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPVHHPYSJDYTWGT-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 51161280) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID51161280
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCOc1ccccc1OCCNC(=O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-10-15(2)12-16(11-14)20(24)22-13-19(23)21-8-9-26-18-7-5-4-6-17(18)25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPVHHPYSJDYTWGT-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.24
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

N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18113511
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807895
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 46423426
N-[2-[[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 47931599
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl] 4-methylbenzoate
CID 9018182
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 51161280) is N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide is COc1ccccc1OCCNC(=O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is PVHHPYSJDYTWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-10-15(2)12-16(11-14)20(24)22-13-19(23)21-8-9-26-18-7-5-4-6-17(18)25-3/h4-7,10-12H,8-9,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 51161280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).