N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide

C17H33BN2O2 — CID 144532384

IUPACN-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide
SMILESB[C@H](CC(C)CC)NC(=O)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C17H33BN2O2/c1-3-13(2)11-15(18)20-16(21)12-19-17(22)14-9-7-5-4-6-8-10-14/h13-15H,3-12,18H2,1-2H3,(H,19,22)(H,20,21)/t13?,15-/m0/s1
InChIKeyKYBSELUJBIBDMN-WUJWULDRSA-N
MW308.28 g/mol
LogP1.97
Rot. Bonds7

About N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide

N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide (PubChem CID 144532384) has the molecular formula C17H33BN2O2 and a molecular weight of 308.28 g/mol. Its IUPAC name is N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide
PubChem CID144532384
Molecular FormulaC17H33BN2O2
Molecular Weight308.28 g/mol
Exact Mass308.26
IUPAC NameN-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide
SMILESB[C@H](CC(C)CC)NC(=O)CNC(=O)C1CCCCCCC1
InChIInChI=1S/C17H33BN2O2/c1-3-13(2)11-15(18)20-16(21)12-19-17(22)14-9-7-5-4-6-8-10-14/h13-15H,3-12,18H2,1-2H3,(H,19,22)(H,20,21)/t13?,15-/m0/s1
InChIKeyKYBSELUJBIBDMN-WUJWULDRSA-N
XLogP1.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24554571
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
N-(3-methyl-2-oxobutyl)cyclobutanecarboxamide
CID 64996921
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-(2-oxopropyl)cycloheptanecarboxamide
CID 64996887
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide?
The IUPAC name of N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide (CID 144532384) is N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide?
The canonical SMILES for N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide is B[C@H](CC(C)CC)NC(=O)CNC(=O)C1CCCCCCC1.
What is the InChIKey of N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide?
The InChIKey is KYBSELUJBIBDMN-WUJWULDRSA-N. The full InChI is InChI=1S/C17H33BN2O2/c1-3-13(2)11-15(18)20-16(21)12-19-17(22)14-9-7-5-4-6-8-10-14/h13-15H,3-12,18H2,1-2H3,(H,19,22)(H,20,21)/t13?,15-/m0/s1.
What are the key properties of N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide?
N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide has a molecular weight of 308.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-boranyl-3-methylpentyl]amino]-2-oxoethyl]cyclooctanecarboxamide is sourced from PubChem (CID 144532384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).