CID 59113755

C26H49N4O4 — CID 59113755

IUPAC—
SMILESCC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C26H49N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22,33H,9-18H2,1-8H3
InChIKeyZGZXHOTVYYKHMR-UHFFFAOYSA-N
MW481.70 g/mol
LogP4.24
Rot. Bonds11

About CID 59113755

CID 59113755 (PubChem CID 59113755) has the molecular formula C26H49N4O4 and a molecular weight of 481.70 g/mol.

Molecular Properties

Compound NameCID 59113755
PubChem CID59113755
Molecular FormulaC26H49N4O4
Molecular Weight481.70 g/mol
Exact Mass481.38
IUPAC Name—
SMILESCC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C26H49N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22,33H,9-18H2,1-8H3
InChIKeyZGZXHOTVYYKHMR-UHFFFAOYSA-N
XLogP4.24
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.70
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59113755?
The IUPAC name of CID 59113755 (CID 59113755) is not available.
What is the SMILES notation for CID 59113755?
The canonical SMILES for CID 59113755 is CC1(C)CC(N(C=O)CCCCCCN(C=O)C2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 59113755?
The InChIKey is ZGZXHOTVYYKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N4O4/c1-23(2)15-21(16-24(3,4)29(23)33)27(19-31)13-11-9-10-12-14-28(20-32)22-17-25(5,6)30(34)26(7,8)18-22/h19-22,33H,9-18H2,1-8H3.
What are the key properties of CID 59113755?
CID 59113755 has a molecular weight of 481.70 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59113755 is sourced from PubChem (CID 59113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).