sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate

C18H25N2NaO4 — CID 23677833

IUPACsodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate
SMILESCCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+]
InChIInChI=1S/C18H26N2O4.Na/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyUFMWGCINVOIJSO-UHFFFAOYSA-M
MW356.40 g/mol
LogP-2.03
Rot. Bonds10

About sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate

sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate (PubChem CID 23677833) has the molecular formula C18H25N2NaO4 and a molecular weight of 356.40 g/mol. Its IUPAC name is sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate.

Molecular Properties

Compound Namesodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate
PubChem CID23677833
Molecular FormulaC18H25N2NaO4
Molecular Weight356.40 g/mol
Exact Mass356.17
IUPAC Namesodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate
SMILESCCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+]
InChIInChI=1S/C18H26N2O4.Na/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;+1/p-1
InChIKeyUFMWGCINVOIJSO-UHFFFAOYSA-M
XLogP-2.03
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate?
The IUPAC name of sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate (CID 23677833) is sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate.
What is the SMILES notation for sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate?
The canonical SMILES for sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate is CCCN(CCC)C(=O)C(CCC(=O)[O-])NC(=O)c1ccccc1.[Na+].
What is the InChIKey of sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate?
The InChIKey is UFMWGCINVOIJSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O4.Na/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;+1/p-1.
What are the key properties of sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate?
sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate has a molecular weight of 356.40 g/mol, XLogP of -2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate is sourced from PubChem (CID 23677833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).