2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

C16H25NO4 — CID 84747604

IUPAC2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cccc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-5-7-11-17(6-2)14(16(18)19)12-9-8-10-13(20-3)15(12)21-4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyFSWGWQKLQTZSPN-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.95
Rot. Bonds9

About 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid

2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (PubChem CID 84747604) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
PubChem CID84747604
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cccc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-5-7-11-17(6-2)14(16(18)19)12-9-8-10-13(20-3)15(12)21-4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyFSWGWQKLQTZSPN-UHFFFAOYSA-N
XLogP2.95
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(ethyl)amino]-2-(2,5-dimethoxyphenyl)acetic acid
CID 84751432
2-[acetyl(propyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63703746
2-[butyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84746496
2-[acetyl(methyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid
CID 63704808
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
2-[butyl(ethyl)amino]-2-(2-nitrophenyl)acetic acid
CID 84749136
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]-3-methylbutanoate
CID 62397786
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 84748642

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid (CID 84747604) is 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is CCCCN(CC)C(C(=O)O)c1cccc(OC)c1OC.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
The InChIKey is FSWGWQKLQTZSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-7-11-17(6-2)14(16(18)19)12-9-8-10-13(20-3)15(12)21-4/h8-10,14H,5-7,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid?
2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid has a molecular weight of 295.38 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(2,3-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 84747604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).