3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide

C18H20N2O4 — CID 141423954

IUPAC3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1OCCc1cccc(CC(N)=O)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-6-5-14(18(20)22)11-16(15)24-8-7-12-3-2-4-13(9-12)10-17(19)21/h2-6,9,11H,7-8,10H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyRJDMXRGPIBQQMF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.44
Rot. Bonds8

About 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide

3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide (PubChem CID 141423954) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide
PubChem CID141423954
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1OCCc1cccc(CC(N)=O)c1
InChIInChI=1S/C18H20N2O4/c1-23-15-6-5-14(18(20)22)11-16(15)24-8-7-12-3-2-4-13(9-12)10-17(19)21/h2-6,9,11H,7-8,10H2,1H3,(H2,19,21)(H2,20,22)
InChIKeyRJDMXRGPIBQQMF-UHFFFAOYSA-N
XLogP1.44
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[2-[3-(oxetan-3-yl)phenyl]ethoxy]benzamide
CID 141308802
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
4-methoxy-3-pentoxybenzamide
CID 82041442
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-butoxy-3-methoxybenzamide
CID 47102628
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
2-[2-[3-[2-[3-(2-aminoethyl)phenyl]ethoxy]-4-methoxyphenyl]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 58318437
4-(2-bromoethyl)-3-methoxybenzamide
CID 123699479
3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
CID 143067890
4-methoxy-N-(2-methyl-1,3-dihydroinden-2-yl)-3-[2-(3-methylphenyl)ethoxy]benzamide
CID 169173043
3-(2-phenylethoxy)benzamide
CID 17135006

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide?
The IUPAC name of 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide (CID 141423954) is 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide.
What is the SMILES notation for 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide?
The canonical SMILES for 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1OCCc1cccc(CC(N)=O)c1.
What is the InChIKey of 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide?
The InChIKey is RJDMXRGPIBQQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-15-6-5-14(18(20)22)11-16(15)24-8-7-12-3-2-4-13(9-12)10-17(19)21/h2-6,9,11H,7-8,10H2,1H3,(H2,19,21)(H2,20,22).
What are the key properties of 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide?
3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-amino-2-oxoethyl)phenyl]ethoxy]-4-methoxybenzamide is sourced from PubChem (CID 141423954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).