sodium 4-[(4-butoxybenzoyl)amino]benzoate

C18H18NNaO4 — CID 23690385

IUPACsodium 4-[(4-butoxybenzoyl)amino]benzoate
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1.[Na+]
InChIInChI=1S/C18H19NO4.Na/c1-2-3-12-23-16-10-6-13(7-11-16)17(20)19-15-8-4-14(5-9-15)18(21)22;/h4-11H,2-3,12H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyVBWLNPHSSLJKFS-UHFFFAOYSA-M
MW335.34 g/mol
LogP-0.51
Rot. Bonds7

About sodium 4-[(4-butoxybenzoyl)amino]benzoate

sodium 4-[(4-butoxybenzoyl)amino]benzoate (PubChem CID 23690385) has the molecular formula C18H18NNaO4 and a molecular weight of 335.34 g/mol. Its IUPAC name is sodium 4-[(4-butoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namesodium 4-[(4-butoxybenzoyl)amino]benzoate
PubChem CID23690385
Molecular FormulaC18H18NNaO4
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Namesodium 4-[(4-butoxybenzoyl)amino]benzoate
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1.[Na+]
InChIInChI=1S/C18H19NO4.Na/c1-2-3-12-23-16-10-6-13(7-11-16)17(20)19-15-8-4-14(5-9-15)18(21)22;/h4-11H,2-3,12H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyVBWLNPHSSLJKFS-UHFFFAOYSA-M
XLogP-0.51
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[4-(3-methylbutoxy)phenyl]-4-pentoxybenzamide
CID 4949915

Frequently Asked Questions

What is the IUPAC name of sodium 4-[(4-butoxybenzoyl)amino]benzoate?
The IUPAC name of sodium 4-[(4-butoxybenzoyl)amino]benzoate (CID 23690385) is sodium 4-[(4-butoxybenzoyl)amino]benzoate.
What is the SMILES notation for sodium 4-[(4-butoxybenzoyl)amino]benzoate?
The canonical SMILES for sodium 4-[(4-butoxybenzoyl)amino]benzoate is CCCCOc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1.[Na+].
What is the InChIKey of sodium 4-[(4-butoxybenzoyl)amino]benzoate?
The InChIKey is VBWLNPHSSLJKFS-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19NO4.Na/c1-2-3-12-23-16-10-6-13(7-11-16)17(20)19-15-8-4-14(5-9-15)18(21)22;/h4-11H,2-3,12H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 4-[(4-butoxybenzoyl)amino]benzoate?
sodium 4-[(4-butoxybenzoyl)amino]benzoate has a molecular weight of 335.34 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[(4-butoxybenzoyl)amino]benzoate is sourced from PubChem (CID 23690385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).