CID 50934134

C26H38N2O6Pb+4 — CID 50934134

IUPAC—
SMILES[H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[Pb]
InChIInChI=1S/2C13H17NO3.Pb/c2*1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;/h2*3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);/p+4
InChIKeyPIORJQJYAMEKLX-UHFFFAOYSA-R
MW681.80 g/mol
LogP1.74
Rot. Bonds10

About CID 50934134

CID 50934134 (PubChem CID 50934134) has the molecular formula C26H38N2O6Pb+4 and a molecular weight of 681.80 g/mol.

Molecular Properties

Compound NameCID 50934134
PubChem CID50934134
Molecular FormulaC26H38N2O6Pb+4
Molecular Weight681.80 g/mol
Exact Mass682.25
IUPAC Name—
SMILES[H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[Pb]
InChIInChI=1S/2C13H17NO3.Pb/c2*1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;/h2*3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);/p+4
InChIKeyPIORJQJYAMEKLX-UHFFFAOYSA-R
XLogP1.74
TPSA146.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500681.80
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 6386559
ethyl 2-benzamido-4-methylpentanoate
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2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
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4-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120516103
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
2-benzamido-4-methylpentanoic acid;platinum(4+);2-pyridin-2-ylpyridine;hydrate
CID 51041763
2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119188047
2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
(2S)-2-[(4-acetylbenzoyl)amino]-4-methylpentanoic acid
CID 119361717

Frequently Asked Questions

What is the IUPAC name of CID 50934134?
The IUPAC name of CID 50934134 (CID 50934134) is not available.
What is the SMILES notation for CID 50934134?
The canonical SMILES for CID 50934134 is [H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[H]/[O+]=C(\[OH2+])C(CC(C)C)NC(=O)c1ccccc1.[Pb].
What is the InChIKey of CID 50934134?
The InChIKey is PIORJQJYAMEKLX-UHFFFAOYSA-R. The full InChI is InChI=1S/2C13H17NO3.Pb/c2*1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10;/h2*3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17);/p+4.
What are the key properties of CID 50934134?
CID 50934134 has a molecular weight of 681.80 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 50934134 is sourced from PubChem (CID 50934134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).