(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

C19H31N3O — CID 124811415

IUPAC(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C)[C@@H](C(=O)NC[C@H]1CCN(C(C)C)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-5-21(4)18(17-9-7-6-8-10-17)19(23)20-13-16-11-12-22(14-16)15(2)3/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyXMLCYXIZXQJSCG-SJLPKXTDSA-N
MW317.48 g/mol
LogP2.53
Rot. Bonds7

About (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide

(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 124811415) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
PubChem CID124811415
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
SMILESCCN(C)[C@@H](C(=O)NC[C@H]1CCN(C(C)C)C1)c1ccccc1
InChIInChI=1S/C19H31N3O/c1-5-21(4)18(17-9-7-6-8-10-17)19(23)20-13-16-11-12-22(14-16)15(2)3/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1
InChIKeyXMLCYXIZXQJSCG-SJLPKXTDSA-N
XLogP2.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
(2S)-2-amino-4-methyl-N-[[1-(1-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 118427405
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
2-[ethyl(methyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;dihydrochloride
CID 120943741
2-hydroxy-2,2-diphenyl-N-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methyl]acetamide
CID 11567829

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide (CID 124811415) is (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is CCN(C)[C@@H](C(=O)NC[C@H]1CCN(C(C)C)C1)c1ccccc1.
What is the InChIKey of (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is XMLCYXIZXQJSCG-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-21(4)18(17-9-7-6-8-10-17)19(23)20-13-16-11-12-22(14-16)15(2)3/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,20,23)/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide?
(2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[ethyl(methyl)amino]-2-phenyl-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 124811415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).