(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide

C18H25NO2 — CID 91024979

IUPAC(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCO[C@@H]1CC2CCC1(C(=O)NCc1ccccc1)C2(C)C
InChIInChI=1S/C18H25NO2/c1-17(2)14-9-10-18(17,15(11-14)21-3)16(20)19-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14?,15-,18?/m1/s1
InChIKeyPBXGYDWIORBYHF-SWKXRBFHSA-N
MW287.40 g/mol
LogP3.14
Rot. Bonds4

About (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide

(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 91024979) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID91024979
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCO[C@@H]1CC2CCC1(C(=O)NCc1ccccc1)C2(C)C
InChIInChI=1S/C18H25NO2/c1-17(2)14-9-10-18(17,15(11-14)21-3)16(20)19-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14?,15-,18?/m1/s1
InChIKeyPBXGYDWIORBYHF-SWKXRBFHSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
CID 44402160
N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 86778420
(1R,2R,4R)-N-[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100594658
(1R,2S,4R)-N-[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 100594667
(1R,2R,4R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124737311
(1R,2S,4R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124737312
2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162564192
N-[2-[(1R,2R,4S)-2-hydroxy-1,3,3-trimethyl-norbornan-2-yl]ethyl]-3-phenyl-propanamide
CID 129902315
N-[(6-methoxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)methyl]benzamide
CID 57193282
N-benzyl-2-(methoxymethyl)-3,4-dimethyl-5-phenylpentanamide
CID 123868805
3-pentyloctyl 8-[benzyl-[8-oxo-8-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]octyl]amino]octanoate
CID 168962204
3-pentyloctyl 8-[benzyl-[8-oxo-8-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]octyl]amino]octanoate
CID 170937753

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 91024979) is (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide is CO[C@@H]1CC2CCC1(C(=O)NCc1ccccc1)C2(C)C.
What is the InChIKey of (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is PBXGYDWIORBYHF-SWKXRBFHSA-N. The full InChI is InChI=1S/C18H25NO2/c1-17(2)14-9-10-18(17,15(11-14)21-3)16(20)19-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14?,15-,18?/m1/s1.
What are the key properties of (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
(2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-methoxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 91024979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).