N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide

C14H20N2O — CID 110687973

IUPACN-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(CNC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-12-5-4-6-13(9-12)10-15-14(17)11-16-7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,15,17)
InChIKeyNNMWCMWFOAYPRZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.71
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide

N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 110687973) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID110687973
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(CNC(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-12-5-4-6-13(9-12)10-15-14(17)11-16-7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,15,17)
InChIKeyNNMWCMWFOAYPRZ-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 108995714
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
N-[(2-chlorophenyl)methyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266447
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-[(3-methylphenyl)methyl]-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetamide
CID 75370700
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
N-[(3-methoxyphenyl)methyl]-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 86923582
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide (CID 110687973) is N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide is Cc1cccc(CNC(=O)CN2CCCC2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is NNMWCMWFOAYPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-5-4-6-13(9-12)10-15-14(17)11-16-7-2-3-8-16/h4-6,9H,2-3,7-8,10-11H2,1H3,(H,15,17).
What are the key properties of N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide?
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 110687973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).