4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid

C15H23NO4 — CID 63742469

IUPAC4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)CC(C)(C)OC
InChIInChI=1S/C15H23NO4/c1-10(9-15(2,3)20-5)16-12-8-11(14(17)18)6-7-13(12)19-4/h6-8,10,16H,9H2,1-5H3,(H,17,18)
InChIKeyPADOQYJYEKCHDK-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.01
Rot. Bonds7

About 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid

4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid (PubChem CID 63742469) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
PubChem CID63742469
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NC(C)CC(C)(C)OC
InChIInChI=1S/C15H23NO4/c1-10(9-15(2,3)20-5)16-12-8-11(14(17)18)6-7-13(12)19-4/h6-8,10,16H,9H2,1-5H3,(H,17,18)
InChIKeyPADOQYJYEKCHDK-UHFFFAOYSA-N
XLogP3.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid with MolForge

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Related Compounds

3-(butan-2-ylamino)-4-methoxybenzoic acid
CID 63742955
methyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]-4-methylbenzoate
CID 43680459
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147032
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657
4-methoxy-3-[1-(1H-pyrazol-5-yl)ethylamino]benzoic acid
CID 63743971
4-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63992893
4-methoxy-3-[1-(2-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106757809
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-methoxybenzoic acid
CID 82940017
3-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63744628
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methoxybenzoic acid
CID 63742251

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid (CID 63742469) is 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid is COc1ccc(C(=O)O)cc1NC(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid?
The InChIKey is PADOQYJYEKCHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(9-15(2,3)20-5)16-12-8-11(14(17)18)6-7-13(12)19-4/h6-8,10,16H,9H2,1-5H3,(H,17,18).
What are the key properties of 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid?
4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid has a molecular weight of 281.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid is sourced from PubChem (CID 63742469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).