CID 89442401

C14H22BN2O — CID 89442401

IUPAC—
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.[B]
InChIInChI=1S/C14H22N2O.B/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);
InChIKeyGLXAZCIEPPOTSM-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.20
Rot. Bonds5

About CID 89442401

CID 89442401 (PubChem CID 89442401) has the molecular formula C14H22BN2O and a molecular weight of 245.16 g/mol.

Molecular Properties

Compound NameCID 89442401
PubChem CID89442401
Molecular FormulaC14H22BN2O
Molecular Weight245.16 g/mol
Exact Mass245.18
IUPAC Name—
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.[B]
InChIInChI=1S/C14H22N2O.B/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);
InChIKeyGLXAZCIEPPOTSM-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;2,2,2-trichloroethane-1,1-diol
CID 67896039
N-(2,6-dimethylphenyl)-2-[ethyl(2-fluoroethyl)amino]acetamide
CID 135223290
N-(2,6-dimethylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78963573
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;prop-2-ynoxybenzene
CID 174517449
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 155092368
3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]methyl]benzoic acid
CID 122029217
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479

Frequently Asked Questions

What is the IUPAC name of CID 89442401?
The IUPAC name of CID 89442401 (CID 89442401) is not available.
What is the SMILES notation for CID 89442401?
The canonical SMILES for CID 89442401 is CCN(CC)CC(=O)Nc1c(C)cccc1C.[B].
What is the InChIKey of CID 89442401?
The InChIKey is GLXAZCIEPPOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.B/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;/h7-9H,5-6,10H2,1-4H3,(H,15,17);.
What are the key properties of CID 89442401?
CID 89442401 has a molecular weight of 245.16 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89442401 is sourced from PubChem (CID 89442401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).