CID 89056342

C15H19BN2O2 — CID 89056342

IUPAC—
SMILES[B]c1cc(C(=O)NC2CC2)cc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H19BN2O2/c1-3-18(4-2)15(20)11-7-10(8-12(16)9-11)14(19)17-13-5-6-13/h7-9,13H,3-6H2,1-2H3,(H,17,19)
InChIKeyMTVYGGLQFKJQEF-UHFFFAOYSA-N
MW270.14 g/mol
LogP0.85
Rot. Bonds5

About CID 89056342

CID 89056342 (PubChem CID 89056342) has the molecular formula C15H19BN2O2 and a molecular weight of 270.14 g/mol.

Molecular Properties

Compound NameCID 89056342
PubChem CID89056342
Molecular FormulaC15H19BN2O2
Molecular Weight270.14 g/mol
Exact Mass270.15
IUPAC Name—
SMILES[B]c1cc(C(=O)NC2CC2)cc(C(=O)N(CC)CC)c1
InChIInChI=1S/C15H19BN2O2/c1-3-18(4-2)15(20)11-7-10(8-12(16)9-11)14(19)17-13-5-6-13/h7-9,13H,3-6H2,1-2H3,(H,17,19)
InChIKeyMTVYGGLQFKJQEF-UHFFFAOYSA-N
XLogP0.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 50.85
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

1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
N-cyclohexyl-4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54843789
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681
N-[4-(ethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 43653349
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
4-[(3,5-dimethoxybenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559836
CID 163369912
CID 163369912

Frequently Asked Questions

What is the IUPAC name of CID 89056342?
The IUPAC name of CID 89056342 (CID 89056342) is not available.
What is the SMILES notation for CID 89056342?
The canonical SMILES for CID 89056342 is [B]c1cc(C(=O)NC2CC2)cc(C(=O)N(CC)CC)c1.
What is the InChIKey of CID 89056342?
The InChIKey is MTVYGGLQFKJQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BN2O2/c1-3-18(4-2)15(20)11-7-10(8-12(16)9-11)14(19)17-13-5-6-13/h7-9,13H,3-6H2,1-2H3,(H,17,19).
What are the key properties of CID 89056342?
CID 89056342 has a molecular weight of 270.14 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89056342 is sourced from PubChem (CID 89056342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).