CID 59041157

C25H46N4O4 — CID 59041157

IUPAC—
SMILESCC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N([O])C(C)(C)C2C)C(C)C(C)(C)N([O])C1(C)C
InChIInChI=1S/C25H46N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21H,13H2,1-12H3
InChIKeyXCPWVYOEGSYRCG-UHFFFAOYSA-N
MW466.67 g/mol
LogP3.58
Rot. Bonds6

About CID 59041157

CID 59041157 (PubChem CID 59041157) has the molecular formula C25H46N4O4 and a molecular weight of 466.67 g/mol.

Molecular Properties

Compound NameCID 59041157
PubChem CID59041157
Molecular FormulaC25H46N4O4
Molecular Weight466.67 g/mol
Exact Mass466.35
IUPAC Name—
SMILESCC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N([O])C(C)(C)C2C)C(C)C(C)(C)N([O])C1(C)C
InChIInChI=1S/C25H46N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21H,13H2,1-12H3
InChIKeyXCPWVYOEGSYRCG-UHFFFAOYSA-N
XLogP3.58
TPSA86.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59041157?
The IUPAC name of CID 59041157 (CID 59041157) is not available.
What is the SMILES notation for CID 59041157?
The canonical SMILES for CID 59041157 is CC1C(N(C=O)CN(C=O)C2C(C)C(C)(C)N([O])C(C)(C)C2C)C(C)C(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 59041157?
The InChIKey is XCPWVYOEGSYRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O4/c1-16-20(17(2)23(7,8)28(32)22(16,5)6)26(14-30)13-27(15-31)21-18(3)24(9,10)29(33)25(11,12)19(21)4/h14-21H,13H2,1-12H3.
What are the key properties of CID 59041157?
CID 59041157 has a molecular weight of 466.67 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59041157 is sourced from PubChem (CID 59041157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).