N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H25NO2 — CID 103771225

IUPACN-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-9(2)5-12(16)8-15-14(17)13-7-10-3-4-11(13)6-10/h9-13,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyVMFWBUUTVGESMY-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.95
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103771225) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103771225
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-9(2)5-12(16)8-15-14(17)13-7-10-3-4-11(13)6-10/h9-13,16H,3-8H2,1-2H3,(H,15,17)
InChIKeyVMFWBUUTVGESMY-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydroxypropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 66176464
N-[2-(methylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103512804
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[2-hydroxy-2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 111119691
2-amino-N-(2-hydroxy-4-methylpentyl)cyclopentane-1-carboxamide
CID 103812101
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
N-[2-hydroxy-3-(3-methylphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 110904517
(1R,2R,4R)-N-[(2R)-2-(N-methylanilino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98365932

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103771225) is N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CC(O)CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is VMFWBUUTVGESMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(2)5-12(16)8-15-14(17)13-7-10-3-4-11(13)6-10/h9-13,16H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103771225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).