CID 66615112

C20H24BN2O4 — CID 66615112

IUPAC—
SMILESCC(C)NC(=O)c1cccc(O[B]Oc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C20H24BN2O4/c1-13(2)22-19(24)15-7-5-9-17(11-15)26-21-27-18-10-6-8-16(12-18)20(25)23-14(3)4/h5-14H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQTYHNWVCSCOYDZ-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.95
Rot. Bonds8

About CID 66615112

CID 66615112 (PubChem CID 66615112) has the molecular formula C20H24BN2O4 and a molecular weight of 367.23 g/mol.

Molecular Properties

Compound NameCID 66615112
PubChem CID66615112
Molecular FormulaC20H24BN2O4
Molecular Weight367.23 g/mol
Exact Mass367.18
IUPAC Name—
SMILESCC(C)NC(=O)c1cccc(O[B]Oc2cccc(C(=O)NC(C)C)c2)c1
InChIInChI=1S/C20H24BN2O4/c1-13(2)22-19(24)15-7-5-9-17(11-15)26-21-27-18-10-6-8-16(12-18)20(25)23-14(3)4/h5-14H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQTYHNWVCSCOYDZ-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
3-chloro-N-propan-2-ylbenzamide
CID 669184
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
3-[(3-ethoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197485
CID 68891597
CID 68891597
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439

Frequently Asked Questions

What is the IUPAC name of CID 66615112?
The IUPAC name of CID 66615112 (CID 66615112) is not available.
What is the SMILES notation for CID 66615112?
The canonical SMILES for CID 66615112 is CC(C)NC(=O)c1cccc(O[B]Oc2cccc(C(=O)NC(C)C)c2)c1.
What is the InChIKey of CID 66615112?
The InChIKey is QTYHNWVCSCOYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BN2O4/c1-13(2)22-19(24)15-7-5-9-17(11-15)26-21-27-18-10-6-8-16(12-18)20(25)23-14(3)4/h5-14H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of CID 66615112?
CID 66615112 has a molecular weight of 367.23 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66615112 is sourced from PubChem (CID 66615112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).