N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

C22H28BNO3 — CID 75486566

IUPACN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCC1(C)OB(c2ccc(C(=O)NC3CCCC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C22H28BNO3/c1-21(2)22(3,4)27-23(26-21)19-14-13-18(16-11-7-8-12-17(16)19)20(25)24-15-9-5-6-10-15/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,25)
InChIKeyYKPVFNJAAGRXKB-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.81
Rot. Bonds3

About N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide

N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (PubChem CID 75486566) has the molecular formula C22H28BNO3 and a molecular weight of 365.28 g/mol. Its IUPAC name is N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
PubChem CID75486566
Molecular FormulaC22H28BNO3
Molecular Weight365.28 g/mol
Exact Mass365.22
IUPAC NameN-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
SMILESCC1(C)OB(c2ccc(C(=O)NC3CCCC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C22H28BNO3/c1-21(2)22(3,4)27-23(26-21)19-14-13-18(16-11-7-8-12-17(16)19)20(25)24-15-9-5-6-10-15/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,25)
InChIKeyYKPVFNJAAGRXKB-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.81
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

N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide
CID 75486565
N-cyclohexyl-4-hydroxynaphthalene-1-carboxamide
CID 699930
N-cyclohexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzamide
CID 167713480
4-chloro-N-cyclobutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 139030359
4-bromo-N-cyclopropylnaphthalene-1-carboxamide
CID 70699727
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
N-cyclobutyl-2-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 164946177
N-(oxolan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxamide
CID 171396841
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
2-chloro-N-cyclopentylbenzamide
CID 669043
4-amino-N-cyclopropyl-2-oxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline-3-carboxamide
CID 163255283

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide (CID 75486566) is N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is CC1(C)OB(c2ccc(C(=O)NC3CCCC3)c3ccccc23)OC1(C)C.
What is the InChIKey of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
The InChIKey is YKPVFNJAAGRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BNO3/c1-21(2)22(3,4)27-23(26-21)19-14-13-18(16-11-7-8-12-17(16)19)20(25)24-15-9-5-6-10-15/h7-8,11-15H,5-6,9-10H2,1-4H3,(H,24,25).
What are the key properties of N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide?
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide has a molecular weight of 365.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 75486566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).