N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide

C12H21NO2 — CID 82726517

IUPACN-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)ONC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-13-11(14)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyKNZLAUCHAXJJEO-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.27
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide

N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 82726517) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID82726517
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(C)ONC(=O)C1CC2CCC1C2
InChIInChI=1S/C12H21NO2/c1-12(2,3)15-13-11(14)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyKNZLAUCHAXJJEO-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
tert-butyl bicyclo[2.2.1]heptane-2-carboxylate;ethane
CID 91480700
N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 75689779
(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
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 10104138
N-(1-hydroxy-4,4-dimethylpentan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103940908
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide (CID 82726517) is N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(C)ONC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KNZLAUCHAXJJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(2,3)15-13-11(14)10-7-8-4-5-9(10)6-8/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 82726517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).