1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone

C19H28N2O — CID 154783657

IUPAC1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCC(C2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-20(18-10-6-3-7-11-18)15-19(22)21-13-12-17(14-21)16-8-4-2-5-9-16/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3
InChIKeyYUZVFAFBPDHSJB-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.55
Rot. Bonds4

About 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone

1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone (PubChem CID 154783657) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
PubChem CID154783657
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCC(C2CCCCC2)C1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-20(18-10-6-3-7-11-18)15-19(22)21-13-12-17(14-21)16-8-4-2-5-9-16/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3
InChIKeyYUZVFAFBPDHSJB-UHFFFAOYSA-N
XLogP3.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
CID 23294466
1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-1-methylurea
CID 9490080
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone
CID 133133321
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-phenylhexane-1,5-dione
CID 159313344
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-benzyl-4-oxobutanoic acid
CID 67757796
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-9-phenylnonane-1,5-dione
CID 153011758
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2-hydroxyphenyl)propan-1-one
CID 95568172

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone?
The IUPAC name of 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone (CID 154783657) is 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone is CN(CC(=O)N1CCC(C2CCCCC2)C1)c1ccccc1.
What is the InChIKey of 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone?
The InChIKey is YUZVFAFBPDHSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20(18-10-6-3-7-11-18)15-19(22)21-13-12-17(14-21)16-8-4-2-5-9-16/h3,6-7,10-11,16-17H,2,4-5,8-9,12-15H2,1H3.
What are the key properties of 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone?
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone has a molecular weight of 300.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone is sourced from PubChem (CID 154783657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).