1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone

C16H23NO — CID 104750103

IUPAC1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
SMILESCCN(CC(=O)C1CCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-10-6-7-13(2)11-15)12-16(18)14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyIXFTXZDWNSHYKJ-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone

1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone (PubChem CID 104750103) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
PubChem CID104750103
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
SMILESCCN(CC(=O)C1CCCC1)c1cccc(C)c1
InChIInChI=1S/C16H23NO/c1-3-17(15-10-6-7-13(2)11-15)12-16(18)14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3
InChIKeyIXFTXZDWNSHYKJ-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
1-(N-ethyl-3-methylanilino)pentan-2-one
CID 62044649
1-(N-ethyl-3-methylanilino)-3-methoxypropan-2-one
CID 107507164
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
2-[(N-ethyl-3-methylanilino)methyl]cyclohexan-1-one
CID 62614567
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109003580
N-(2,6-difluorophenyl)-2-(N-ethyl-3-methylanilino)acetamide
CID 109011313
2-(N-ethyl-3-methylanilino)-1-(4-iodophenyl)ethanone
CID 63566987

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone?
The IUPAC name of 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone (CID 104750103) is 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone is CCN(CC(=O)C1CCCC1)c1cccc(C)c1.
What is the InChIKey of 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone?
The InChIKey is IXFTXZDWNSHYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17(15-10-6-7-13(2)11-15)12-16(18)14-8-4-5-9-14/h6-7,10-11,14H,3-5,8-9,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone?
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone is sourced from PubChem (CID 104750103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).