4-methoxy-2-(3-propoxypropylamino)benzoic acid

C14H21NO4 — CID 82947075

IUPAC4-methoxy-2-(3-propoxypropylamino)benzoic acid
SMILESCCCOCCCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-8-19-9-4-7-15-13-10-11(18-2)5-6-12(13)14(16)17/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyVMTKPIGCSXOYHA-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.62
Rot. Bonds9

About 4-methoxy-2-(3-propoxypropylamino)benzoic acid

4-methoxy-2-(3-propoxypropylamino)benzoic acid (PubChem CID 82947075) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-methoxy-2-(3-propoxypropylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(3-propoxypropylamino)benzoic acid
PubChem CID82947075
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name4-methoxy-2-(3-propoxypropylamino)benzoic acid
SMILESCCCOCCCNc1cc(OC)ccc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-8-19-9-4-7-15-13-10-11(18-2)5-6-12(13)14(16)17/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyVMTKPIGCSXOYHA-UHFFFAOYSA-N
XLogP2.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropylamino)-4-methoxybenzoic acid
CID 81305278
2,3-difluoro-4-(3-propoxypropylamino)benzoic acid
CID 82944096
2-[2-[ethyl(methyl)amino]ethylamino]-4-methoxybenzoic acid
CID 81304682
2-[(3-hydroxy-4-methoxybutyl)amino]-4-methoxybenzoic acid
CID 106248544
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
5-methoxy-2-(propylamino)benzoic acid
CID 54594237
4-methoxy-2-(pentylcarbamoylamino)benzoic acid
CID 115412008
2-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxybenzoic acid
CID 81309534
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[2-(furan-2-yl)ethylamino]-4-methoxybenzoic acid
CID 81305282
2-fluoro-4-nitro-5-(3-propoxypropylamino)benzoic acid
CID 104700112
4-methoxy-2-(phenacylamino)benzoic acid
CID 595749

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-propoxypropylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(3-propoxypropylamino)benzoic acid (CID 82947075) is 4-methoxy-2-(3-propoxypropylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(3-propoxypropylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(3-propoxypropylamino)benzoic acid is CCCOCCCNc1cc(OC)ccc1C(=O)O.
What is the InChIKey of 4-methoxy-2-(3-propoxypropylamino)benzoic acid?
The InChIKey is VMTKPIGCSXOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-8-19-9-4-7-15-13-10-11(18-2)5-6-12(13)14(16)17/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-2-(3-propoxypropylamino)benzoic acid?
4-methoxy-2-(3-propoxypropylamino)benzoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-propoxypropylamino)benzoic acid is sourced from PubChem (CID 82947075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).