N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

C21H26N2O — CID 86952041

IUPACN-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCCC2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-10-16(2)12-19(11-15)21-8-5-9-23(21)14-18-6-4-7-20(13-18)22-17(3)24/h4,6-7,10-13,21H,5,8-9,14H2,1-3H3,(H,22,24)
InChIKeyOXAADARRTLSGEB-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.60
Rot. Bonds4

About N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide

N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 86952041) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID86952041
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CN2CCCC2c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O/c1-15-10-16(2)12-19(11-15)21-8-5-9-23(21)14-18-6-4-7-20(13-18)22-17(3)24/h4,6-7,10-13,21H,5,8-9,14H2,1-3H3,(H,22,24)
InChIKeyOXAADARRTLSGEB-UHFFFAOYSA-N
XLogP4.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(2S)-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 97045433
4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 86952073
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-[4-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]phenyl]acetamide
CID 99957918
1-[4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorophenyl]ethanone
CID 170198381
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
CID 97201640
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
N-[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 120754114
4-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 86951405
methyl 3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]benzoate
CID 56906374

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 86952041) is N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CN2CCCC2c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is OXAADARRTLSGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-10-16(2)12-19(11-15)21-8-5-9-23(21)14-18-6-4-7-20(13-18)22-17(3)24/h4,6-7,10-13,21H,5,8-9,14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 322.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 86952041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).