3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide

C16H30BNO3 — CID 42636595

IUPAC3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide
SMILESCNC(=O)CC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H30BNO3/c1-15(2)16(3,4)21-17(20-15)13(11-14(19)18-5)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyRAVVTQNXIHUTSH-UHFFFAOYSA-N
MW295.23 g/mol
LogP3.17
Rot. Bonds4

About 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide

3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide (PubChem CID 42636595) has the molecular formula C16H30BNO3 and a molecular weight of 295.23 g/mol. Its IUPAC name is 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide
PubChem CID42636595
Molecular FormulaC16H30BNO3
Molecular Weight295.23 g/mol
Exact Mass295.23
IUPAC Name3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide
SMILESCNC(=O)CC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H30BNO3/c1-15(2)16(3,4)21-17(20-15)13(11-14(19)18-5)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyRAVVTQNXIHUTSH-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-cyclohexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)heptyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176911861
methyl (2S)-2-cyclohexyl-4-(methylamino)-4-oxobutanoate
CID 58938762
2-[(2R)-2-cyclohexyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138984256
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
N-methyl-3-(oxan-3-ylamino)butanamide
CID 115717949
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715
(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 95305147
2-cyclohexyl-N-methylbutanamide;hydrochloride
CID 174608918
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butanamide
CID 163343032
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
2-cyclohexyl-N-methylpropanamide;ethane
CID 143855673

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide (CID 42636595) is 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide is CNC(=O)CC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide?
The InChIKey is RAVVTQNXIHUTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BNO3/c1-15(2)16(3,4)21-17(20-15)13(11-14(19)18-5)12-9-7-6-8-10-12/h12-13H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide?
3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide has a molecular weight of 295.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanamide is sourced from PubChem (CID 42636595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).