CID 163296568

C13H23B4N3O — CID 163296568

IUPAC—
SMILES[B]C1([B])CN(CC(=O)NC(C)(C)C)CC([B])([B])C1CNC
InChIInChI=1S/C13H23B4N3O/c1-11(2,3)19-10(21)6-20-7-12(14,15)9(5-18-4)13(16,17)8-20/h9,18H,5-8H2,1-4H3,(H,19,21)
InChIKeyVJQDUWMVSVJWRQ-UHFFFAOYSA-N
MW280.59 g/mol
LogP-1.04
Rot. Bonds4

About CID 163296568

CID 163296568 (PubChem CID 163296568) has the molecular formula C13H23B4N3O and a molecular weight of 280.59 g/mol.

Molecular Properties

Compound NameCID 163296568
PubChem CID163296568
Molecular FormulaC13H23B4N3O
Molecular Weight280.59 g/mol
Exact Mass281.22
IUPAC Name—
SMILES[B]C1([B])CN(CC(=O)NC(C)(C)C)CC([B])([B])C1CNC
InChIInChI=1S/C13H23B4N3O/c1-11(2,3)19-10(21)6-20-7-12(14,15)9(5-18-4)13(16,17)8-20/h9,18H,5-8H2,1-4H3,(H,19,21)
InChIKeyVJQDUWMVSVJWRQ-UHFFFAOYSA-N
XLogP-1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-tert-butyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 170256764
N-tert-butyl-2-(3-fluoroazetidin-1-yl)acetamide
CID 129033915
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
CID 99786847
N-tert-butyl-2-(3-methoxyazetidin-1-yl)acetamide
CID 129033912
N-tert-butyl-2-(2-methyl-6-azaspiro[2.5]octan-6-yl)acetamide
CID 146383586
N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
CID 169216916
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
1-[2-(tert-butylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
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Frequently Asked Questions

What is the IUPAC name of CID 163296568?
The IUPAC name of CID 163296568 (CID 163296568) is not available.
What is the SMILES notation for CID 163296568?
The canonical SMILES for CID 163296568 is [B]C1([B])CN(CC(=O)NC(C)(C)C)CC([B])([B])C1CNC.
What is the InChIKey of CID 163296568?
The InChIKey is VJQDUWMVSVJWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23B4N3O/c1-11(2,3)19-10(21)6-20-7-12(14,15)9(5-18-4)13(16,17)8-20/h9,18H,5-8H2,1-4H3,(H,19,21).
What are the key properties of CID 163296568?
CID 163296568 has a molecular weight of 280.59 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163296568 is sourced from PubChem (CID 163296568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).