N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C15H27NO2 — CID 103940908

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-15(2,3)13(6-7-17)16-14(18)12-9-10-4-5-11(12)8-10/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyBKUILRMXAJGFJA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.34
Rot. Bonds4

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103940908) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103940908
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)C(CCO)NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-15(2,3)13(6-7-17)16-14(18)12-9-10-4-5-11(12)8-10/h10-13,17H,4-9H2,1-3H3,(H,16,18)
InChIKeyBKUILRMXAJGFJA-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103940908) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)C(CCO)NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BKUILRMXAJGFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)13(6-7-17)16-14(18)12-9-10-4-5-11(12)8-10/h10-13,17H,4-9H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103940908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).