4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide

C23H30N2O — CID 11385742

IUPAC4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NC[C@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C23H30N2O/c26-23(15-7-13-20-9-3-1-4-10-20)24-19-22-14-8-17-25(22)18-16-21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)/t22-/m1/s1
InChIKeyHFTIKXYSNDRVRI-JOCHJYFZSA-N
MW350.51 g/mol
LogP3.83
Rot. Bonds9

About 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide

4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide (PubChem CID 11385742) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
PubChem CID11385742
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
SMILESO=C(CCCc1ccccc1)NC[C@H]1CCCN1CCc1ccccc1
InChIInChI=1S/C23H30N2O/c26-23(15-7-13-20-9-3-1-4-10-20)24-19-22-14-8-17-25(22)18-16-21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)/t22-/m1/s1
InChIKeyHFTIKXYSNDRVRI-JOCHJYFZSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
CID 155950546
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124847936
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]prop-2-enamide
CID 167927460
N-[(3-aminocyclobutyl)methyl]-4-phenylbutanamide
CID 66004709
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide?
The IUPAC name of 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide (CID 11385742) is 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide?
The canonical SMILES for 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide is O=C(CCCc1ccccc1)NC[C@H]1CCCN1CCc1ccccc1.
What is the InChIKey of 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide?
The InChIKey is HFTIKXYSNDRVRI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O/c26-23(15-7-13-20-9-3-1-4-10-20)24-19-22-14-8-17-25(22)18-16-21-11-5-2-6-12-21/h1-6,9-12,22H,7-8,13-19H2,(H,24,26)/t22-/m1/s1.
What are the key properties of 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide?
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide has a molecular weight of 350.51 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide is sourced from PubChem (CID 11385742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).