CID 168891701

C10H18B2N2O2 — CID 168891701

IUPAC—
SMILES[B]N([B])CCCC(=O)NCCC(=O)C(C)C
InChIInChI=1S/C10H18B2N2O2/c1-8(2)9(15)5-6-13-10(16)4-3-7-14(11)12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyBHAHRYPVQCPYSL-UHFFFAOYSA-N
MW219.89 g/mol
LogP-0.03
Rot. Bonds8

About CID 168891701

CID 168891701 (PubChem CID 168891701) has the molecular formula C10H18B2N2O2 and a molecular weight of 219.89 g/mol.

Molecular Properties

Compound NameCID 168891701
PubChem CID168891701
Molecular FormulaC10H18B2N2O2
Molecular Weight219.89 g/mol
Exact Mass220.16
IUPAC Name—
SMILES[B]N([B])CCCC(=O)NCCC(=O)C(C)C
InChIInChI=1S/C10H18B2N2O2/c1-8(2)9(15)5-6-13-10(16)4-3-7-14(11)12/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyBHAHRYPVQCPYSL-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.89
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
5-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]-4-oxohexanamide
CID 88917606
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861

Frequently Asked Questions

What is the IUPAC name of CID 168891701?
The IUPAC name of CID 168891701 (CID 168891701) is not available.
What is the SMILES notation for CID 168891701?
The canonical SMILES for CID 168891701 is [B]N([B])CCCC(=O)NCCC(=O)C(C)C.
What is the InChIKey of CID 168891701?
The InChIKey is BHAHRYPVQCPYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18B2N2O2/c1-8(2)9(15)5-6-13-10(16)4-3-7-14(11)12/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of CID 168891701?
CID 168891701 has a molecular weight of 219.89 g/mol, XLogP of -0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168891701 is sourced from PubChem (CID 168891701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).