N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide

C19H27N5O — CID 98755640

IUPACN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1ccnn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-3-24(19(25)10-13-23-14-11-20-21-23)18-9-12-22(15-18)16(2)17-7-5-4-6-8-17/h4-8,11,14,16,18H,3,9-10,12-13,15H2,1-2H3/t16-,18-/m1/s1
InChIKeyGPENSFFXFOGYMG-SJLPKXTDSA-N
MW341.46 g/mol
LogP2.35
Rot. Bonds7

About N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide

N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide (PubChem CID 98755640) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
PubChem CID98755640
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
SMILESCCN(C(=O)CCn1ccnn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-3-24(19(25)10-13-23-14-11-20-21-23)18-9-12-22(15-18)16(2)17-7-5-4-6-8-17/h4-8,11,14,16,18H,3,9-10,12-13,15H2,1-2H3/t16-,18-/m1/s1
InChIKeyGPENSFFXFOGYMG-SJLPKXTDSA-N
XLogP2.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52525533
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]quinoline-6-carboxamide
CID 86874699
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 98768605
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 86874693
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 96529450
N-ethyl-3-methoxy-N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 75507595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide (CID 98755640) is N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide is CCN(C(=O)CCn1ccnn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide?
The InChIKey is GPENSFFXFOGYMG-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-24(19(25)10-13-23-14-11-20-21-23)18-9-12-22(15-18)16(2)17-7-5-4-6-8-17/h4-8,11,14,16,18H,3,9-10,12-13,15H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide?
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide has a molecular weight of 341.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 98755640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).