CID 58482584

C18H30BNO4 — CID 58482584

IUPAC—
SMILES[B]CN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)CC(C)(C)C(C)=O
InChIInChI=1S/C18H30BNO4/c1-12(21)16(2,3)9-13(22)18(6,7)14(23)10-17(4,5)15(24)20(8)11-19/h9-11H2,1-8H3
InChIKeyJMBIUYMGGZCBLT-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.16
Rot. Bonds9

About CID 58482584

CID 58482584 (PubChem CID 58482584) has the molecular formula C18H30BNO4 and a molecular weight of 335.25 g/mol.

Molecular Properties

Compound NameCID 58482584
PubChem CID58482584
Molecular FormulaC18H30BNO4
Molecular Weight335.25 g/mol
Exact Mass335.23
IUPAC Name—
SMILES[B]CN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)CC(C)(C)C(C)=O
InChIInChI=1S/C18H30BNO4/c1-12(21)16(2,3)9-13(22)18(6,7)14(23)10-17(4,5)15(24)20(8)11-19/h9-11H2,1-8H3
InChIKeyJMBIUYMGGZCBLT-UHFFFAOYSA-N
XLogP2.16
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N,2,2,5,5-pentamethyl-4,6-dioxoheptanamide
CID 58352659
CID 58482578
CID 58482578
CID 58482597
CID 58482597
N,N,9,9-tetramethyl-8-oxodecanamide
CID 134452668
N,N,10,10-tetramethyl-9-oxoundecanamide
CID 134452669
N,N,11,11-tetramethyl-10-oxododecanamide
CID 134452670
N,N,7,7-tetramethyl-6-oxooctanamide
CID 134452672
N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide
CID 146725139
N,N-dimethyl-2-[1-(2-methylpropanoyl)cyclohexyl]acetamide
CID 158209647
5-ethyl-N,N,3,3,7-pentamethyl-6-oxooctanamide
CID 167147257
N,N,2,2,6-pentamethyl-4-oxoheptanamide
CID 159930455

Frequently Asked Questions

What is the IUPAC name of CID 58482584?
The IUPAC name of CID 58482584 (CID 58482584) is not available.
What is the SMILES notation for CID 58482584?
The canonical SMILES for CID 58482584 is [B]CN(C)C(=O)C(C)(C)CC(=O)C(C)(C)C(=O)CC(C)(C)C(C)=O.
What is the InChIKey of CID 58482584?
The InChIKey is JMBIUYMGGZCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BNO4/c1-12(21)16(2,3)9-13(22)18(6,7)14(23)10-17(4,5)15(24)20(8)11-19/h9-11H2,1-8H3.
What are the key properties of CID 58482584?
CID 58482584 has a molecular weight of 335.25 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58482584 is sourced from PubChem (CID 58482584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).