1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one

C18H28N2O — CID 63273846

IUPAC1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-5-15-6-8-17(9-7-15)18(21)14(2)20(4)13-16-10-11-19(3)12-16/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyNXMZZOSZEQAHEC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.70
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one

1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (PubChem CID 63273846) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
PubChem CID63273846
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-5-15-6-8-17(9-7-15)18(21)14(2)20(4)13-16-10-11-19(3)12-16/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyNXMZZOSZEQAHEC-UHFFFAOYSA-N
XLogP2.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(4-methylphenyl)propan-1-one
CID 63273720
1-(3,4-difluorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273847
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552
1-(3-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273630
1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
CID 113499699
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-2-methylpropanenitrile
CID 62051506
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one (CID 63273846) is 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is CCc1ccc(C(=O)C(C)N(C)CC2CCN(C)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
The InChIKey is NXMZZOSZEQAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-5-15-6-8-17(9-7-15)18(21)14(2)20(4)13-16-10-11-19(3)12-16/h6-9,14,16H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one?
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 63273846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).