4-(ethylamino)-3,5-dimethoxybenzoic acid

C11H15NO4 — CID 21280955

IUPAC4-(ethylamino)-3,5-dimethoxybenzoic acid
SMILESCCNc1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C11H15NO4/c1-4-12-10-8(15-2)5-7(11(13)14)6-9(10)16-3/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyZRKOWGKOYSEFAM-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.83
Rot. Bonds5

About 4-(ethylamino)-3,5-dimethoxybenzoic acid

4-(ethylamino)-3,5-dimethoxybenzoic acid (PubChem CID 21280955) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(ethylamino)-3,5-dimethoxybenzoic acid
PubChem CID21280955
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-(ethylamino)-3,5-dimethoxybenzoic acid
SMILESCCNc1c(OC)cc(C(=O)O)cc1OC
InChIInChI=1S/C11H15NO4/c1-4-12-10-8(15-2)5-7(11(13)14)6-9(10)16-3/h5-6,12H,4H2,1-3H3,(H,13,14)
InChIKeyZRKOWGKOYSEFAM-UHFFFAOYSA-N
XLogP1.83
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-4-(ethylamino)-5-methoxybenzoate
CID 129231428
3-methoxy-5-nitro-4-(propylamino)benzoic acid
CID 166624997
3-(2,2-dimethylpropyl)-4-hydroxy-5-methoxybenzoic acid
CID 163051387
4-carboxy-2,6-dimethoxyphenolate
CID 54694262
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
3,4-dimethoxybenzoic acid;methanol
CID 144580050
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(ethylamino)-3,5-dimethoxybenzoic acid (CID 21280955) is 4-(ethylamino)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(ethylamino)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(ethylamino)-3,5-dimethoxybenzoic acid is CCNc1c(OC)cc(C(=O)O)cc1OC.
What is the InChIKey of 4-(ethylamino)-3,5-dimethoxybenzoic acid?
The InChIKey is ZRKOWGKOYSEFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-4-12-10-8(15-2)5-7(11(13)14)6-9(10)16-3/h5-6,12H,4H2,1-3H3,(H,13,14).
What are the key properties of 4-(ethylamino)-3,5-dimethoxybenzoic acid?
4-(ethylamino)-3,5-dimethoxybenzoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 21280955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).