CID 57067406

C20H24BN2O4 — CID 57067406

IUPAC—
SMILESCC(=O)NC(CO[B]OCC(NC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BN2O4/c1-15(24)22-19(17-9-5-3-6-10-17)13-26-21-27-14-20(23-16(2)25)18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNHGLMAQACWHCSG-UHFFFAOYSA-N
MW367.23 g/mol
LogP2.31
Rot. Bonds10

About CID 57067406

CID 57067406 (PubChem CID 57067406) has the molecular formula C20H24BN2O4 and a molecular weight of 367.23 g/mol.

Molecular Properties

Compound NameCID 57067406
PubChem CID57067406
Molecular FormulaC20H24BN2O4
Molecular Weight367.23 g/mol
Exact Mass367.18
IUPAC Name—
SMILESCC(=O)NC(CO[B]OCC(NC(C)=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BN2O4/c1-15(24)22-19(17-9-5-3-6-10-17)13-26-21-27-14-20(23-16(2)25)18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyNHGLMAQACWHCSG-UHFFFAOYSA-N
XLogP2.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 75373023
N-[(1S)-1-phenyl-2-[(Z)-prop-1-enoxy]ethyl]acetamide
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(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
N-(3-methyl-1-phenylbut-3-enyl)acetamide
CID 69439748
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
N-(2-diethylphosphanyl-1-phenylethyl)acetamide
CID 175089746
(3R)-3-acetamido-N-[(2R)-1-methoxypropan-2-yl]-3-phenylpropanamide
CID 94816352
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905

Frequently Asked Questions

What is the IUPAC name of CID 57067406?
The IUPAC name of CID 57067406 (CID 57067406) is not available.
What is the SMILES notation for CID 57067406?
The canonical SMILES for CID 57067406 is CC(=O)NC(CO[B]OCC(NC(C)=O)c1ccccc1)c1ccccc1.
What is the InChIKey of CID 57067406?
The InChIKey is NHGLMAQACWHCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BN2O4/c1-15(24)22-19(17-9-5-3-6-10-17)13-26-21-27-14-20(23-16(2)25)18-11-7-4-8-12-18/h3-12,19-20H,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of CID 57067406?
CID 57067406 has a molecular weight of 367.23 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57067406 is sourced from PubChem (CID 57067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).