(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

C17H28N4O3 — CID 167797506

IUPAC(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCOCC1(C)C
InChIInChI=1S/C17H28N4O3/c1-17(2)12-23-11-9-21(17)8-6-19-16(22)13-4-10-24-14(13)15-18-5-7-20(15)3/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyFLUPECHXVNMLLQ-ZIAGYGMSSA-N
MW336.44 g/mol
LogP0.72
Rot. Bonds5

About (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide

(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (PubChem CID 167797506) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
PubChem CID167797506
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
SMILESCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCOCC1(C)C
InChIInChI=1S/C17H28N4O3/c1-17(2)12-23-11-9-21(17)8-6-19-16(22)13-4-10-24-14(13)15-18-5-7-20(15)3/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1
InChIKeyFLUPECHXVNMLLQ-ZIAGYGMSSA-N
XLogP0.72
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide (CID 167797506) is (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NCCN1CCOCC1(C)C.
What is the InChIKey of (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
The InChIKey is FLUPECHXVNMLLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2)12-23-11-9-21(17)8-6-19-16(22)13-4-10-24-14(13)15-18-5-7-20(15)3/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide?
(2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 167797506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).