4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide

C20H22N2O4 — CID 86991598

IUPAC4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)16-9-7-15(8-10-16)12-22-19(24)13-26-18-6-4-5-17(11-18)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLNWAQCSMNBYNMV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.33
Rot. Bonds8

About 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide

4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide (PubChem CID 86991598) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
PubChem CID86991598
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNC(=O)COc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-3-21-20(25)16-9-7-15(8-10-16)12-22-19(24)13-26-18-6-4-5-17(11-18)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyLNWAQCSMNBYNMV-UHFFFAOYSA-N
XLogP2.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 2616931
2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307790
2-(3-acetylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 40628702
N-(3-aminopropyl)-4-[[[2-(3-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 82097492
2-[[2-(3-acetylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891404
2-(3-acetylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78855114
N-[3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883909
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
CID 55590785
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 112977719
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide (CID 86991598) is 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNC(=O)COc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide?
The InChIKey is LNWAQCSMNBYNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-21-20(25)16-9-7-15(8-10-16)12-22-19(24)13-26-18-6-4-5-17(11-18)14(2)23/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide?
4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(3-acetylphenoxy)acetyl]amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 86991598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).