(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide

C17H33N3O3 — CID 124882409

IUPAC(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H](C)CNC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O
InChIInChI=1S/C17H33N3O3/c1-4-19(5-2)13(3)11-18-17(22)20-9-6-7-15(20)14-12-23-10-8-16(14)21/h13-16,21H,4-12H2,1-3H3,(H,18,22)/t13-,14-,15-,16+/m1/s1
InChIKeyFZEDAHVDEQXNPF-FPCVCCKLSA-N
MW327.47 g/mol
LogP1.29
Rot. Bonds6

About (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide

(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 124882409) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
PubChem CID124882409
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC Name(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
SMILESCCN(CC)[C@H](C)CNC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O
InChIInChI=1S/C17H33N3O3/c1-4-19(5-2)13(3)11-18-17(22)20-9-6-7-15(20)14-12-23-10-8-16(14)21/h13-16,21H,4-12H2,1-3H3,(H,18,22)/t13-,14-,15-,16+/m1/s1
InChIKeyFZEDAHVDEQXNPF-FPCVCCKLSA-N
XLogP1.29
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 124882420
(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]-N-[(3R)-3-phenylbutyl]pyrrolidine-1-carboxamide
CID 129434540
(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]-N-[(4-methylthiophen-3-yl)methyl]pyrrolidine-1-carboxamide
CID 124842938
2-(4-ethoxyphenyl)-1-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346671
(4-chlorophenyl)-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447461
N-ethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545828
3-(3,5-dimethylphenoxy)-1-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]propan-1-one
CID 129447177
(2,3-dimethylphenyl)-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349773
(2-fluoro-3-methylphenyl)-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129349780
[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129349776
[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 128965133
2-(5-fluoro-2-methoxyphenyl)-1-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]ethanone
CID 154738919

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide (CID 124882409) is (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide is CCN(CC)[C@H](C)CNC(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O.
What is the InChIKey of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is FZEDAHVDEQXNPF-FPCVCCKLSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-4-19(5-2)13(3)11-18-17(22)20-9-6-7-15(20)14-12-23-10-8-16(14)21/h13-16,21H,4-12H2,1-3H3,(H,18,22)/t13-,14-,15-,16+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide?
(2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(diethylamino)propyl]-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124882409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).