CID 71468150

C19H29NO3 — CID 71468150

IUPAC—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CNCCO
InChIInChI=1S/C19H29NO3/c21-10-9-20-11-13-12-1-3-18(5-6-18)14-2-4-19(7-8-19)15(14)16(12)23-17(13)22/h12-16,20-21H,1-11H2/t12-,13-,14+,15-,16-/m0/s1
InChIKeyCTUNQMUDHVXLQN-QMHWVQJVSA-N
MW319.45 g/mol
LogP2.11
Rot. Bonds4

About CID 71468150

CID 71468150 (PubChem CID 71468150) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol.

Molecular Properties

Compound NameCID 71468150
PubChem CID71468150
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name—
SMILESO=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CNCCO
InChIInChI=1S/C19H29NO3/c21-10-9-20-11-13-12-1-3-18(5-6-18)14-2-4-19(7-8-19)15(14)16(12)23-17(13)22/h12-16,20-21H,1-11H2/t12-,13-,14+,15-,16-/m0/s1
InChIKeyCTUNQMUDHVXLQN-QMHWVQJVSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 71468150?
The IUPAC name of CID 71468150 (CID 71468150) is not available.
What is the SMILES notation for CID 71468150?
The canonical SMILES for CID 71468150 is O=C1O[C@H]2[C@@H](CCC3(CC3)[C@@H]3CCC4(CC4)[C@H]23)[C@@H]1CNCCO.
What is the InChIKey of CID 71468150?
The InChIKey is CTUNQMUDHVXLQN-QMHWVQJVSA-N. The full InChI is InChI=1S/C19H29NO3/c21-10-9-20-11-13-12-1-3-18(5-6-18)14-2-4-19(7-8-19)15(14)16(12)23-17(13)22/h12-16,20-21H,1-11H2/t12-,13-,14+,15-,16-/m0/s1.
What are the key properties of CID 71468150?
CID 71468150 has a molecular weight of 319.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71468150 is sourced from PubChem (CID 71468150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).