CID 59113753

C22H43N4O3 — CID 59113753

IUPAC—
SMILESCN(CC(=O)N(C)C1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H43N4O3/c1-19(2)11-16(12-20(3,4)25(19)28)23(9)15-18(27)24(10)17-13-21(5,6)26(29)22(7,8)14-17/h16-17,28H,11-15H2,1-10H3
InChIKeyOXJWBLABXSDWGN-UHFFFAOYSA-N
MW411.61 g/mol
LogP3.15
Rot. Bonds4

About CID 59113753

CID 59113753 (PubChem CID 59113753) has the molecular formula C22H43N4O3 and a molecular weight of 411.61 g/mol.

Molecular Properties

Compound NameCID 59113753
PubChem CID59113753
Molecular FormulaC22H43N4O3
Molecular Weight411.61 g/mol
Exact Mass411.33
IUPAC Name—
SMILESCN(CC(=O)N(C)C1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C22H43N4O3/c1-19(2)11-16(12-20(3,4)25(19)28)23(9)15-18(27)24(10)17-13-21(5,6)26(29)22(7,8)14-17/h16-17,28H,11-15H2,1-10H3
InChIKeyOXJWBLABXSDWGN-UHFFFAOYSA-N
XLogP3.15
TPSA70.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 59113753?
The IUPAC name of CID 59113753 (CID 59113753) is not available.
What is the SMILES notation for CID 59113753?
The canonical SMILES for CID 59113753 is CN(CC(=O)N(C)C1CC(C)(C)N([O])C(C)(C)C1)C1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of CID 59113753?
The InChIKey is OXJWBLABXSDWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N4O3/c1-19(2)11-16(12-20(3,4)25(19)28)23(9)15-18(27)24(10)17-13-21(5,6)26(29)22(7,8)14-17/h16-17,28H,11-15H2,1-10H3.
What are the key properties of CID 59113753?
CID 59113753 has a molecular weight of 411.61 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59113753 is sourced from PubChem (CID 59113753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).