CID 140701738

C24H42N4O3 — CID 140701738

IUPAC—
SMILESC#CCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C24H42N4O3/c1-10-11-12-13-26(19-16-23(6,7)28(31)24(8,9)17-19)20(29)25-18-14-21(2,3)27(30)22(4,5)15-18/h1,18-19H,11-17H2,2-9H3,(H,25,29)
InChIKeyXEXKYORUGYSDQC-UHFFFAOYSA-N
MW434.63 g/mol
LogP4.15
Rot. Bonds5

About CID 140701738

CID 140701738 (PubChem CID 140701738) has the molecular formula C24H42N4O3 and a molecular weight of 434.63 g/mol.

Molecular Properties

Compound NameCID 140701738
PubChem CID140701738
Molecular FormulaC24H42N4O3
Molecular Weight434.63 g/mol
Exact Mass434.33
IUPAC Name—
SMILESC#CCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C24H42N4O3/c1-10-11-12-13-26(19-16-23(6,7)28(31)24(8,9)17-19)20(29)25-18-14-21(2,3)27(30)22(4,5)15-18/h1,18-19H,11-17H2,2-9H3,(H,25,29)
InChIKeyXEXKYORUGYSDQC-UHFFFAOYSA-N
XLogP4.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.63
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140701738?
The IUPAC name of CID 140701738 (CID 140701738) is not available.
What is the SMILES notation for CID 140701738?
The canonical SMILES for CID 140701738 is C#CCCCN(C(=O)NC1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140701738?
The InChIKey is XEXKYORUGYSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O3/c1-10-11-12-13-26(19-16-23(6,7)28(31)24(8,9)17-19)20(29)25-18-14-21(2,3)27(30)22(4,5)15-18/h1,18-19H,11-17H2,2-9H3,(H,25,29).
What are the key properties of CID 140701738?
CID 140701738 has a molecular weight of 434.63 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140701738 is sourced from PubChem (CID 140701738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).