N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide

C20H30N2O — CID 125164756

IUPACN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-15-7-8-16(2)18(11-15)12-20(23)21-13-17-9-10-22(14-17)19-5-3-4-6-19/h7-8,11,17,19H,3-6,9-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyFSOLISRTNXXAJR-KRWDZBQOSA-N
MW314.47 g/mol
LogP3.23
Rot. Bonds5

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

N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 125164756) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID125164756
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C20H30N2O/c1-15-7-8-16(2)18(11-15)12-20(23)21-13-17-9-10-22(14-17)19-5-3-4-6-19/h7-8,11,17,19H,3-6,9-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyFSOLISRTNXXAJR-KRWDZBQOSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 92717372
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 125155819
1-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-methylphenyl)urea
CID 23609402
N-[(3-aminocyclohexyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 106123913
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,5-dimethylphenyl)acetamide
CID 114307113
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-methoxypropanamide
CID 125446366
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-3-(5-methyl-2-pyridinyl)benzamide
CID 125162133
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 95303166
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-3-(3-hydroxyphenyl)propanamide
CID 118774346

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide (CID 125164756) is N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)NC[C@@H]2CCN(C3CCCC3)C2)c1.
What is the InChIKey of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is FSOLISRTNXXAJR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O/c1-15-7-8-16(2)18(11-15)12-20(23)21-13-17-9-10-22(14-17)19-5-3-4-6-19/h7-8,11,17,19H,3-6,9-10,12-14H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide?
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 314.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 125164756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).