(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C17H30N2O3 — CID 129422421

IUPAC(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1
InChIInChI=1S/C17H30N2O3/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-17(20)15-9-14-5-6-16(15)22-14/h12-16H,3-11H2,1-2H3,(H,18,20)/t12-,13-,14-,15+,16-/m1/s1
InChIKeyKNZGEPYVGSFWQC-DGXTUMSLSA-N
MW310.44 g/mol
LogP1.56
Rot. Bonds6

About (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129422421) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129422421
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESC[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1
InChIInChI=1S/C17H30N2O3/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-17(20)15-9-14-5-6-16(15)22-14/h12-16H,3-11H2,1-2H3,(H,18,20)/t12-,13-,14-,15+,16-/m1/s1
InChIKeyKNZGEPYVGSFWQC-DGXTUMSLSA-N
XLogP1.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
(2R)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]-2-methoxypropanamide
CID 97039119
N-[(2S)-2-hydroxypropyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 130839863
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]cyclopropanamine
CID 104960941
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 129422421) is (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is C[C@@H]1CN(CCCCNC(=O)[C@H]2C[C@H]3CC[C@H]2O3)C[C@@H](C)O1.
What is the InChIKey of (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KNZGEPYVGSFWQC-DGXTUMSLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-12-10-19(11-13(2)21-12)8-4-3-7-18-17(20)15-9-14-5-6-16(15)22-14/h12-16H,3-11H2,1-2H3,(H,18,20)/t12-,13-,14-,15+,16-/m1/s1.
What are the key properties of (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129422421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).