N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide

C20H24N2O4 — CID 108542880

IUPACN-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-8-9-16(12-15(14)2)20(24)22-11-10-21-19(23)13-26-18-7-5-4-6-17(18)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYHCYWKDPUNGXSY-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide

N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide (PubChem CID 108542880) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
PubChem CID108542880
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
SMILESCOc1ccccc1OCC(=O)NCCNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-8-9-16(12-15(14)2)20(24)22-11-10-21-19(23)13-26-18-7-5-4-6-17(18)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYHCYWKDPUNGXSY-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

3-fluoro-N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108542879
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide (CID 108542880) is N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide is COc1ccccc1OCC(=O)NCCNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide?
The InChIKey is YHCYWKDPUNGXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-8-9-16(12-15(14)2)20(24)22-11-10-21-19(23)13-26-18-7-5-4-6-17(18)25-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide?
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-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)acetyl]amino]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 108542880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).