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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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 111123253
N-[(4-methylphenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 112826142
2-(1,4-diazepan-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119905981
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 120772245
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 114681230
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9401594
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
N-[(4-methylphenyl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]hexanamide
CID 42708114
N-[(4-methylphenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118795
N-cyclopropyl-2-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]acetamide
CID 8910208

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).