3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

C17H30N2O2 — CID 6347575

IUPAC3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1CCOCC1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-4-6-17(16,3)14(12-13)18-15(20)5-7-19-8-10-21-11-9-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m1/s1
InChIKeyYXXRVERJCNRUEY-CPUCHLNUSA-N
MW294.44 g/mol
LogP2.04
Rot. Bonds4

About 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide

3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 6347575) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID6347575
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1CCOCC1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-4-6-17(16,3)14(12-13)18-15(20)5-7-19-8-10-21-11-9-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m1/s1
InChIKeyYXXRVERJCNRUEY-CPUCHLNUSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide (CID 6347575) is 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1CCOCC1)C2.
What is the InChIKey of 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is YXXRVERJCNRUEY-CPUCHLNUSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)13-4-6-17(16,3)14(12-13)18-15(20)5-7-19-8-10-21-11-9-19/h13-14H,4-12H2,1-3H3,(H,18,20)/t13-,14-,17+/m1/s1.
What are the key properties of 3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide?
3-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-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,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 6347575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).