CID 59113766

C21H41N4O3 — CID 59113766

IUPAC—
SMILESCC1(C)CC(NC(=O)CCNC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C21H41N4O3/c1-18(2)11-15(12-19(3,4)24(18)27)22-10-9-17(26)23-16-13-20(5,6)25(28)21(7,8)14-16/h15-16,22,27H,9-14H2,1-8H3,(H,23,26)
InChIKeyLVPLIKWAIBUEJY-UHFFFAOYSA-N
MW397.58 g/mol
LogP2.86
Rot. Bonds5

About CID 59113766

CID 59113766 (PubChem CID 59113766) has the molecular formula C21H41N4O3 and a molecular weight of 397.58 g/mol.

Molecular Properties

Compound NameCID 59113766
PubChem CID59113766
Molecular FormulaC21H41N4O3
Molecular Weight397.58 g/mol
Exact Mass397.32
IUPAC Name—
SMILESCC1(C)CC(NC(=O)CCNC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O]
InChIInChI=1S/C21H41N4O3/c1-18(2)11-15(12-19(3,4)24(18)27)22-10-9-17(26)23-16-13-20(5,6)25(28)21(7,8)14-16/h15-16,22,27H,9-14H2,1-8H3,(H,23,26)
InChIKeyLVPLIKWAIBUEJY-UHFFFAOYSA-N
XLogP2.86
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.58
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 59113766?
The IUPAC name of CID 59113766 (CID 59113766) is not available.
What is the SMILES notation for CID 59113766?
The canonical SMILES for CID 59113766 is CC1(C)CC(NC(=O)CCNC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1[O].
What is the InChIKey of CID 59113766?
The InChIKey is LVPLIKWAIBUEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N4O3/c1-18(2)11-15(12-19(3,4)24(18)27)22-10-9-17(26)23-16-13-20(5,6)25(28)21(7,8)14-16/h15-16,22,27H,9-14H2,1-8H3,(H,23,26).
What are the key properties of CID 59113766?
CID 59113766 has a molecular weight of 397.58 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59113766 is sourced from PubChem (CID 59113766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).