N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide

C21H26N2O — CID 43843128

IUPACN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-9-11-19(12-10-17)20(23-13-5-6-14-23)16-22-21(24)15-18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyBAKDSMIMYVQPMC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide (PubChem CID 43843128) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
PubChem CID43843128
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
SMILESCc1ccc(C(CNC(=O)Cc2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-17-9-11-19(12-10-17)20(23-13-5-6-14-23)16-22-21(24)15-18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyBAKDSMIMYVQPMC-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 35343824
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
2-(3-fluorophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 51179557
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide (CID 43843128) is N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide is Cc1ccc(C(CNC(=O)Cc2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide?
The InChIKey is BAKDSMIMYVQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-17-9-11-19(12-10-17)20(23-13-5-6-14-23)16-22-21(24)15-18-7-3-2-4-8-18/h2-4,7-12,20H,5-6,13-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide?
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide has a molecular weight of 322.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide is sourced from PubChem (CID 43843128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).