(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

C16H30N2O3 — CID 95130741

IUPAC(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCCC1(CC)CN(C(=O)[C@H]2CCN(CCOC)C2)CCO1
InChIInChI=1S/C16H30N2O3/c1-4-16(5-2)13-18(9-11-21-16)15(19)14-6-7-17(12-14)8-10-20-3/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyGANFBFLVIALRKU-AWEZNQCLSA-N
MW298.43 g/mol
LogP1.37
Rot. Bonds6

About (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (PubChem CID 95130741) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
PubChem CID95130741
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCCC1(CC)CN(C(=O)[C@H]2CCN(CCOC)C2)CCO1
InChIInChI=1S/C16H30N2O3/c1-4-16(5-2)13-18(9-11-21-16)15(19)14-6-7-17(12-14)8-10-20-3/h14H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyGANFBFLVIALRKU-AWEZNQCLSA-N
XLogP1.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (CID 95130741) is (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is CCC1(CC)CN(C(=O)[C@H]2CCN(CCOC)C2)CCO1.
What is the InChIKey of (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The InChIKey is GANFBFLVIALRKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-16(5-2)13-18(9-11-21-16)15(19)14-6-7-17(12-14)8-10-20-3/h14H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
(2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone has a molecular weight of 298.43 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethylmorpholin-4-yl)-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 95130741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).