N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

C21H26N2O — CID 95333668

IUPACN-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCc1ccccc1CCNC(=O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-17-7-5-6-8-18(17)11-13-22-21(24)16-23-14-12-20(15-23)19-9-3-2-4-10-19/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyWOFHPSNYDMPDGV-FQEVSTJZSA-N
MW322.45 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide

N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (PubChem CID 95333668) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
PubChem CID95333668
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
SMILESCc1ccccc1CCNC(=O)CN1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C21H26N2O/c1-17-7-5-6-8-18(17)11-13-22-21(24)16-23-14-12-20(15-23)19-9-3-2-4-10-19/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyWOFHPSNYDMPDGV-FQEVSTJZSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904533
N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 120758613
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
CID 78983867
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 124679998
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide (CID 95333668) is N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is Cc1ccccc1CCNC(=O)CN1CC[C@H](c2ccccc2)C1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is WOFHPSNYDMPDGV-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-7-5-6-8-18(17)11-13-22-21(24)16-23-14-12-20(15-23)19-9-3-2-4-10-19/h2-10,20H,11-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide?
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95333668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).