3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

C17H30N2O2 — CID 92642320

IUPAC3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2NC(=O)CCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)12-17(3)11-13(16)10-14(17)18-15(20)4-5-19-6-8-21-9-7-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m0/s1
InChIKeyQQKWCXWZHDEURB-GRDNDAEWSA-N
MW294.44 g/mol
LogP2.04
Rot. Bonds4

About 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 92642320) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID92642320
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2NC(=O)CCN1CCOCC1
InChIInChI=1S/C17H30N2O2/c1-16(2)12-17(3)11-13(16)10-14(17)18-15(20)4-5-19-6-8-21-9-7-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m0/s1
InChIKeyQQKWCXWZHDEURB-GRDNDAEWSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide with MolForge

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Related Compounds

3-morpholin-4-yl-N-[(1R,2R,4S)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 124827594
3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 6347575
N-methyl-3-morpholin-4-ylpropanamide;hydrochloride
CID 45264777
2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide
CID 24840176
N-hydroxy-3-morpholin-4-ylpropanamide
CID 131174118
3-morpholin-4-ylpropanoyl chloride
CID 18967893
(2-methyl-2-adamantyl) 3-morpholin-4-ylpropanoate
CID 59204098
2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
3-morpholin-4-ylpropanoyl chloride;hydrochloride
CID 19856369
N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 45205353
3-(4-ethylpiperazin-1-yl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]propanamide
CID 95934968
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (CID 92642320) is 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is CC1(C)C[C@@]2(C)C[C@@H]1C[C@@H]2NC(=O)CCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is QQKWCXWZHDEURB-GRDNDAEWSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)12-17(3)11-13(16)10-14(17)18-15(20)4-5-19-6-8-21-9-7-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m0/s1.
What are the key properties of 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 294.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(1R,2S,4R)-1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 92642320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).