CID 172826521

C16H29N3NaO3 — CID 172826521

IUPAC—
SMILESC[C@H]1CCCC(C)(C)[C@@H]1COC(=O)N1CCN(C(N)=O)CC1.[Na]
InChIInChI=1S/C16H29N3O3.Na/c1-12-5-4-6-16(2,3)13(12)11-22-15(21)19-9-7-18(8-10-19)14(17)20;/h12-13H,4-11H2,1-3H3,(H2,17,20);/t12-,13+;/m0./s1
InChIKeyUXZRCFPPTFNDAJ-JHEYCYPBSA-N
MW334.42 g/mol
LogP1.90
Rot. Bonds2

About CID 172826521

CID 172826521 (PubChem CID 172826521) has the molecular formula C16H29N3NaO3 and a molecular weight of 334.42 g/mol.

Molecular Properties

Compound NameCID 172826521
PubChem CID172826521
Molecular FormulaC16H29N3NaO3
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name—
SMILESC[C@H]1CCCC(C)(C)[C@@H]1COC(=O)N1CCN(C(N)=O)CC1.[Na]
InChIInChI=1S/C16H29N3O3.Na/c1-12-5-4-6-16(2,3)13(12)11-22-15(21)19-9-7-18(8-10-19)14(17)20;/h12-13H,4-11H2,1-3H3,(H2,17,20);/t12-,13+;/m0./s1
InChIKeyUXZRCFPPTFNDAJ-JHEYCYPBSA-N
XLogP1.90
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 172826521?
The IUPAC name of CID 172826521 (CID 172826521) is not available.
What is the SMILES notation for CID 172826521?
The canonical SMILES for CID 172826521 is C[C@H]1CCCC(C)(C)[C@@H]1COC(=O)N1CCN(C(N)=O)CC1.[Na].
What is the InChIKey of CID 172826521?
The InChIKey is UXZRCFPPTFNDAJ-JHEYCYPBSA-N. The full InChI is InChI=1S/C16H29N3O3.Na/c1-12-5-4-6-16(2,3)13(12)11-22-15(21)19-9-7-18(8-10-19)14(17)20;/h12-13H,4-11H2,1-3H3,(H2,17,20);/t12-,13+;/m0./s1.
What are the key properties of CID 172826521?
CID 172826521 has a molecular weight of 334.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172826521 is sourced from PubChem (CID 172826521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).