(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C15H23NO2 — CID 98790841

IUPAC(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@@H](C1CC1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1
InChIInChI=1S/C15H23NO2/c1-9(10-2-3-10)16(11-4-5-11)15(17)13-8-12-6-7-14(13)18-12/h9-14H,2-8H2,1H3/t9-,12+,13+,14+/m0/s1
InChIKeyGBZNTMMKSBRLSK-KQURDKLPSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds4

About (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98790841) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98790841
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@@H](C1CC1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1
InChIInChI=1S/C15H23NO2/c1-9(10-2-3-10)16(11-4-5-11)15(17)13-8-12-6-7-14(13)18-12/h9-14H,2-8H2,1H3/t9-,12+,13+,14+/m0/s1
InChIKeyGBZNTMMKSBRLSK-KQURDKLPSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,2R,4R)-N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790840
(2S,5R)-5-(aminomethyl)-N-cyclopropyl-N-(1-cyclopropylethyl)oxolane-2-carboxamide
CID 120787918
3-amino-N-cyclopropyl-N-(1-cyclopropylethyl)cyclopentane-1-carboxamide
CID 119728873
(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 68570977
N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
dimethyl-[2-methyl-4-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxobutyl]azanium
CID 170530463
(1R,2R,4R)-N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124859670
(4S)-3-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70370408
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-(1-cyclopropylethyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 51112711
2-aminoethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935223
(1R,2R,4R)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98793069

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 98790841) is (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is C[C@@H](C1CC1)N(C(=O)[C@@H]1C[C@H]2CC[C@H]1O2)C1CC1.
What is the InChIKey of (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GBZNTMMKSBRLSK-KQURDKLPSA-N. The full InChI is InChI=1S/C15H23NO2/c1-9(10-2-3-10)16(11-4-5-11)15(17)13-8-12-6-7-14(13)18-12/h9-14H,2-8H2,1H3/t9-,12+,13+,14+/m0/s1.
What are the key properties of (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 249.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-cyclopropyl-N-[(1S)-1-cyclopropylethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98790841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).