2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one

C17H25NO — CID 43796353

IUPAC2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(C1CCCC1)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-4-18(16-7-5-6-8-16)14(3)17(19)15-11-9-13(2)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyABSFGDSMEUIPML-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.83
Rot. Bonds5

About 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one

2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one (PubChem CID 43796353) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
PubChem CID43796353
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
SMILESCCN(C1CCCC1)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO/c1-4-18(16-7-5-6-8-16)14(3)17(19)15-11-9-13(2)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyABSFGDSMEUIPML-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
2-[cyclopentyl(ethyl)amino]-1-(2,4-dichlorophenyl)propan-1-one
CID 43796309
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
ethyl 2-cyclohexyl-3-(4-methylphenyl)-3-oxopropanoate
CID 23650263
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(4-methylphenyl)propan-1-one
CID 104552670
2-[methyl(pentan-3-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796890
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55010842
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
1-(4-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051389
2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 78944907

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one (CID 43796353) is 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one is CCN(C1CCCC1)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is ABSFGDSMEUIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-18(16-7-5-6-8-16)14(3)17(19)15-11-9-13(2)10-12-15/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one?
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43796353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).