N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide

C18H28N2O — CID 86879333

IUPACN-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-10-20(13-17-7-5-15(2)6-8-17)18(21)14-19-11-9-16(3)12-19/h5-8,16H,4,9-14H2,1-3H3
InChIKeyQAAZBBUIFZJQGA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide

N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide (PubChem CID 86879333) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide
PubChem CID86879333
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C)C1
InChIInChI=1S/C18H28N2O/c1-4-10-20(13-17-7-5-15(2)6-8-17)18(21)14-19-11-9-16(3)12-19/h5-8,16H,4,9-14H2,1-3H3
InChIKeyQAAZBBUIFZJQGA-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide (CID 86879333) is N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)CN1CCC(C)C1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide?
The InChIKey is QAAZBBUIFZJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-10-20(13-17-7-5-15(2)6-8-17)18(21)14-19-11-9-16(3)12-19/h5-8,16H,4,9-14H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide?
N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-methylpyrrolidin-1-yl)-N-propylacetamide is sourced from PubChem (CID 86879333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).