(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C15H23NO2 — CID 129435254

IUPAC(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C15H23NO2/c17-15(13-7-12-3-4-14(13)18-12)16-8-11-6-9-1-2-10(11)5-9/h9-14H,1-8H2,(H,16,17)/t9-,10-,11-,12+,13+,14+/m0/s1
InChIKeyCVDQDQYMGSDCEG-QEHJDLSMSA-N
MW249.35 g/mol
LogP2.11
Rot. Bonds3

About (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129435254) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129435254
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C15H23NO2/c17-15(13-7-12-3-4-14(13)18-12)16-8-11-6-9-1-2-10(11)5-9/h9-14H,1-8H2,(H,16,17)/t9-,10-,11-,12+,13+,14+/m0/s1
InChIKeyCVDQDQYMGSDCEG-QEHJDLSMSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
N-[2-(methylamino)propyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 120831827
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
(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
(1S,2R,4R)-N-benzyl-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124504672
(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-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 115886354
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 129435254) is (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CVDQDQYMGSDCEG-QEHJDLSMSA-N. The full InChI is InChI=1S/C15H23NO2/c17-15(13-7-12-3-4-14(13)18-12)16-8-11-6-9-1-2-10(11)5-9/h9-14H,1-8H2,(H,16,17)/t9-,10-,11-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 249.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129435254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).