4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide

C24H26BNO2 — CID 102285726

IUPAC4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCOB(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BNO2/c1-20(21-12-5-2-6-13-21)26-24(27)18-11-19-28-25(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20H,11,18-19H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeySDAKRVIJPRNTKU-HXUWFJFHSA-N
MW371.29 g/mol
LogP3.47
Rot. Bonds9

About 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide

4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 102285726) has the molecular formula C24H26BNO2 and a molecular weight of 371.29 g/mol. Its IUPAC name is 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide
PubChem CID102285726
Molecular FormulaC24H26BNO2
Molecular Weight371.29 g/mol
Exact Mass371.21
IUPAC Name4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide
SMILESC[C@@H](NC(=O)CCCOB(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26BNO2/c1-20(21-12-5-2-6-13-21)26-24(27)18-11-19-28-25(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20H,11,18-19H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeySDAKRVIJPRNTKU-HXUWFJFHSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-phenoxybutanamide
CID 94330096
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-phenoxybutanamide
CID 100521099
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
4-[benzenesulfonyl(methyl)amino]-N-(1-phenylethyl)butanamide
CID 132654297

Frequently Asked Questions

What is the IUPAC name of 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide (CID 102285726) is 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide is C[C@@H](NC(=O)CCCOB(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is SDAKRVIJPRNTKU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26BNO2/c1-20(21-12-5-2-6-13-21)26-24(27)18-11-19-28-25(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20H,11,18-19H2,1H3,(H,26,27)/t20-/m1/s1.
What are the key properties of 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide?
4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 371.29 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylboranyloxy-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 102285726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).