N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide

C14H20N2O — CID 23452543

IUPACN-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCCN2C)cc1
InChIInChI=1S/C14H20N2O/c1-11(17)15-13-7-5-12(6-8-13)10-14-4-3-9-16(14)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyAJUMACFWFWIHSS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.28
Rot. Bonds3

About N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide

N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide (PubChem CID 23452543) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
PubChem CID23452543
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2CCCN2C)cc1
InChIInChI=1S/C14H20N2O/c1-11(17)15-13-7-5-12(6-8-13)10-14-4-3-9-16(14)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyAJUMACFWFWIHSS-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857805
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
[2-acetyloxy-4-[(1-methylpyrrolidin-2-yl)methyl]phenyl] acetate
CID 23452567
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide (CID 23452543) is N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CC2CCCN2C)cc1.
What is the InChIKey of N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide?
The InChIKey is AJUMACFWFWIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(17)15-13-7-5-12(6-8-13)10-14-4-3-9-16(14)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide?
N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide has a molecular weight of 232.33 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 23452543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).