N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

C21H26N2O — CID 95339552

IUPACN-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](NC(=O)CCN1CC[C@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(18-8-4-2-5-9-18)22-21(24)13-15-23-14-12-20(16-23)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyHWDWPMVATXPVRF-XLIONFOSSA-N
MW322.45 g/mol
LogP3.74
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 95339552) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID95339552
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](NC(=O)CCN1CC[C@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-17(18-8-4-2-5-9-18)22-21(24)13-15-23-14-12-20(16-23)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,22,24)/t17-,20+/m1/s1
InChIKeyHWDWPMVATXPVRF-XLIONFOSSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57394152
3-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95712844
N-[(1S)-1-phenylethyl]-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 124729607
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95321250
3-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 98761810
3-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 95322646
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (CID 95339552) is N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is C[C@@H](NC(=O)CCN1CC[C@H](c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is HWDWPMVATXPVRF-XLIONFOSSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17(18-8-4-2-5-9-18)22-21(24)13-15-23-14-12-20(16-23)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3,(H,22,24)/t17-,20+/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95339552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).