2-(4-methoxybutoxy)benzene-1,4-dicarboxamide

C13H18N2O4 — CID 140972457

IUPAC2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
SMILESCOCCCCOc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C13H18N2O4/c1-18-6-2-3-7-19-11-8-9(12(14)16)4-5-10(11)13(15)17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyQJYNFSLPEFEHPD-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds8

About 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide

2-(4-methoxybutoxy)benzene-1,4-dicarboxamide (PubChem CID 140972457) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
PubChem CID140972457
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
SMILESCOCCCCOc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C13H18N2O4/c1-18-6-2-3-7-19-11-8-9(12(14)16)4-5-10(11)13(15)17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyQJYNFSLPEFEHPD-UHFFFAOYSA-N
XLogP0.69
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
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-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
4-methoxy-3-pentoxybenzamide
CID 82041442
4-butoxy-3-methoxybenzamide
CID 47102628
2-(4-methoxybutoxy)-4-(morpholin-4-ylmethyl)benzamide
CID 140972491
3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040
3-amino-4-butoxybenzamide
CID 43448596
4-amino-2-(5-amino-5-oxopentoxy)benzamide
CID 114281709
6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 141251495
4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide?
The IUPAC name of 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide (CID 140972457) is 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide?
The canonical SMILES for 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide is COCCCCOc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide?
The InChIKey is QJYNFSLPEFEHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-6-2-3-7-19-11-8-9(12(14)16)4-5-10(11)13(15)17/h4-5,8H,2-3,6-7H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide?
2-(4-methoxybutoxy)benzene-1,4-dicarboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxy)benzene-1,4-dicarboxamide is sourced from PubChem (CID 140972457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).