(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

C21H26N2O2 — CID 95308982

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(21(24)22-14-17-8-10-20(25-2)11-9-17)23-13-12-19(15-23)18-6-4-3-5-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,22,24)/t16-,19-/m0/s1
InChIKeyRBDORXQZPTUCSQ-LPHOPBHVSA-N
MW338.45 g/mol
LogP3.19
Rot. Bonds6

About (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide

(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 95308982) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID95308982
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)N2CC[C@H](c3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(21(24)22-14-17-8-10-20(25-2)11-9-17)23-13-12-19(15-23)18-6-4-3-5-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,22,24)/t16-,19-/m0/s1
InChIKeyRBDORXQZPTUCSQ-LPHOPBHVSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 11931788
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide (CID 95308982) is (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is COc1ccc(CNC(=O)[C@H](C)N2CC[C@H](c3ccccc3)C2)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is RBDORXQZPTUCSQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(21(24)22-14-17-8-10-20(25-2)11-9-17)23-13-12-19(15-23)18-6-4-3-5-7-18/h3-11,16,19H,12-15H2,1-2H3,(H,22,24)/t16-,19-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95308982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).