2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid

C18H21NO3 — CID 84751344

IUPAC2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCN(Cc1ccccc1)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C18H21NO3/c1-3-19(13-14-9-5-4-6-10-14)17(18(20)21)15-11-7-8-12-16(15)22-2/h4-12,17H,3,13H2,1-2H3,(H,20,21)
InChIKeyMINKKGOXFMDZNF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid

2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid (PubChem CID 84751344) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
PubChem CID84751344
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
SMILESCCN(Cc1ccccc1)C(C(=O)O)c1ccccc1OC
InChIInChI=1S/C18H21NO3/c1-3-19(13-14-9-5-4-6-10-14)17(18(20)21)15-11-7-8-12-16(15)22-2/h4-12,17H,3,13H2,1-2H3,(H,20,21)
InChIKeyMINKKGOXFMDZNF-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
2-(2-methoxyphenyl)-2-(2,4,5-trichloro-N-ethylanilino)acetic acid
CID 70566809
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 84747604
2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432
3-[benzyl(ethyl)amino]-2-methylbutanoic acid
CID 79406218
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
ethyl 2-(dibenzylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 102383382
(2R)-2-(dibenzylamino)butanoic acid
CID 141083038

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid?
The IUPAC name of 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid (CID 84751344) is 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid is CCN(Cc1ccccc1)C(C(=O)O)c1ccccc1OC.
What is the InChIKey of 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid?
The InChIKey is MINKKGOXFMDZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-19(13-14-9-5-4-6-10-14)17(18(20)21)15-11-7-8-12-16(15)22-2/h4-12,17H,3,13H2,1-2H3,(H,20,21).
What are the key properties of 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid?
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid is sourced from PubChem (CID 84751344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).