4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid

C14H20N2O5 — CID 115412206

IUPAC4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid
SMILESCOCCCCNC(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-20-8-4-3-7-15-14(19)16-12-9-10(21-2)5-6-11(12)13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyJXWPMPSAKJPFHX-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.94
Rot. Bonds8

About 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid

4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid (PubChem CID 115412206) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid
PubChem CID115412206
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid
SMILESCOCCCCNC(=O)Nc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C14H20N2O5/c1-20-8-4-3-7-15-14(19)16-12-9-10(21-2)5-6-11(12)13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyJXWPMPSAKJPFHX-UHFFFAOYSA-N
XLogP1.94
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(pentylcarbamoylamino)benzoic acid
CID 115412008
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
4,5-difluoro-2-(3-methoxypropylcarbamoylamino)benzoic acid
CID 62866805
2-(2,2-dimethylbutylcarbamoylamino)-4-methoxybenzoic acid
CID 103463114
2-[(2-amino-4-methoxybutanoyl)amino]-4-methoxybenzoic acid
CID 115411605
2-(4-methoxybutylamino)-4-methylbenzoic acid
CID 62710496
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
4-methoxy-2-(3-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 115412182
4-[(4-methoxy-2-methoxycarbonylphenyl)carbamoylamino]butanoic acid
CID 122087871
2-(1H-imidazol-5-ylmethylcarbamoylamino)-4-methoxybenzoic acid
CID 115412307
2-(1H-imidazol-2-ylmethylcarbamoylamino)-4-methoxybenzoic acid
CID 115412295
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid (CID 115412206) is 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid is COCCCCNC(=O)Nc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid?
The InChIKey is JXWPMPSAKJPFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-8-4-3-7-15-14(19)16-12-9-10(21-2)5-6-11(12)13(17)18/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid?
4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-methoxybutylcarbamoylamino)benzoic acid is sourced from PubChem (CID 115412206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).