CID 10044322

C19H28N2O5 — CID 10044322

IUPAC—
SMILESNC(=O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28N2O5/c20-16(22)17(23)21-10-11-1-3-18(4-2-11)24-19(26-25-18)14-6-12-5-13(8-14)9-15(19)7-12/h11-15H,1-10H2,(H2,20,22)(H,21,23)
InChIKeySVCNUQOAHUUSNR-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.61
Rot. Bonds2

About CID 10044322

CID 10044322 (PubChem CID 10044322) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol.

Molecular Properties

Compound NameCID 10044322
PubChem CID10044322
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name—
SMILESNC(=O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H28N2O5/c20-16(22)17(23)21-10-11-1-3-18(4-2-11)24-19(26-25-18)14-6-12-5-13(8-14)9-15(19)7-12/h11-15H,1-10H2,(H2,20,22)(H,21,23)
InChIKeySVCNUQOAHUUSNR-UHFFFAOYSA-N
XLogP1.61
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10044322?
The IUPAC name of CID 10044322 (CID 10044322) is not available.
What is the SMILES notation for CID 10044322?
The canonical SMILES for CID 10044322 is NC(=O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 10044322?
The InChIKey is SVCNUQOAHUUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c20-16(22)17(23)21-10-11-1-3-18(4-2-11)24-19(26-25-18)14-6-12-5-13(8-14)9-15(19)7-12/h11-15H,1-10H2,(H2,20,22)(H,21,23).
What are the key properties of CID 10044322?
CID 10044322 has a molecular weight of 364.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10044322 is sourced from PubChem (CID 10044322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).