(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide

C20H27N3O — CID 124878513

IUPAC(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1
InChIInChI=1S/C20H27N3O/c1-2-22-14-8-11-18(22)16-21-20(24)19(23-12-6-7-13-23)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18-19H,2,8,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyLEXFSZZAGBNIPR-RTBURBONSA-N
MW325.46 g/mol
LogP2.87
Rot. Bonds7

About (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide

(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 124878513) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID124878513
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESCCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1
InChIInChI=1S/C20H27N3O/c1-2-22-14-8-11-18(22)16-21-20(24)19(23-12-6-7-13-23)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18-19H,2,8,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1
InChIKeyLEXFSZZAGBNIPR-RTBURBONSA-N
XLogP2.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(2-benzylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 71876765
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
(2S)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-pyridin-2-ylpentanamide
CID 100756925
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 46357255

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide (CID 124878513) is (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide is CCN1CCC[C@@H]1CNC(=O)[C@@H](Cc1ccccc1)n1cccc1.
What is the InChIKey of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is LEXFSZZAGBNIPR-RTBURBONSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-22-14-8-11-18(22)16-21-20(24)19(23-12-6-7-13-23)15-17-9-4-3-5-10-17/h3-7,9-10,12-13,18-19H,2,8,11,14-16H2,1H3,(H,21,24)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide?
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 124878513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).