CID 91263033

C23H24N3O2P — CID 91263033

IUPAC—
SMILES[H]/N=C1\CCC2(CC1=C(C)P)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C23H24N3O2P/c1-13(29)17-12-22(9-8-19(17)24)11-16-7-6-15(5-4-14-2-3-14)10-18(16)23(22)20(27)25-21(28)26-23/h6-7,10,14,24H,2-3,8-9,11-12,29H2,1H3,(H2,25,26,27,28)/b17-13?,24-19+
InChIKeyICVOOTXOYFDLLV-HXPBIGIUSA-N
MW405.44 g/mol
LogP3.38
Rot. Bonds

About CID 91263033

CID 91263033 (PubChem CID 91263033) has the molecular formula C23H24N3O2P and a molecular weight of 405.44 g/mol.

Molecular Properties

Compound NameCID 91263033
PubChem CID91263033
Molecular FormulaC23H24N3O2P
Molecular Weight405.44 g/mol
Exact Mass405.16
IUPAC Name—
SMILES[H]/N=C1\CCC2(CC1=C(C)P)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O
InChIInChI=1S/C23H24N3O2P/c1-13(29)17-12-22(9-8-19(17)24)11-16-7-6-15(5-4-14-2-3-14)10-18(16)23(22)20(27)25-21(28)26-23/h6-7,10,14,24H,2-3,8-9,11-12,29H2,1H3,(H2,25,26,27,28)/b17-13?,24-19+
InChIKeyICVOOTXOYFDLLV-HXPBIGIUSA-N
XLogP3.38
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 91263033?
The IUPAC name of CID 91263033 (CID 91263033) is not available.
What is the SMILES notation for CID 91263033?
The canonical SMILES for CID 91263033 is [H]/N=C1\CCC2(CC1=C(C)P)Cc1ccc(C#CC3CC3)cc1C21NC(=O)NC1=O.
What is the InChIKey of CID 91263033?
The InChIKey is ICVOOTXOYFDLLV-HXPBIGIUSA-N. The full InChI is InChI=1S/C23H24N3O2P/c1-13(29)17-12-22(9-8-19(17)24)11-16-7-6-15(5-4-14-2-3-14)10-18(16)23(22)20(27)25-21(28)26-23/h6-7,10,14,24H,2-3,8-9,11-12,29H2,1H3,(H2,25,26,27,28)/b17-13?,24-19+.
What are the key properties of CID 91263033?
CID 91263033 has a molecular weight of 405.44 g/mol, XLogP of 3.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91263033 is sourced from PubChem (CID 91263033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).