1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one

C17H25NO — CID 43794247

IUPAC1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
SMILESCCN(CC(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3
InChIKeyYOVVEMKDLHFKRX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.45
Rot. Bonds6

About 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one

1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one (PubChem CID 43794247) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
PubChem CID43794247
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one
SMILESCCN(CC(=O)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3
InChIKeyYOVVEMKDLHFKRX-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl-(4-methylcyclohexyl)amino]-3-phenylpropan-2-one
CID 61437237
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
2-[cyclopentyl(ethyl)amino]-1-(furan-2-yl)ethanone
CID 43796327
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
ethyl 2-[benzyl(cycloheptyl)amino]acetate
CID 82925724
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
2-[4-[[cyclopentyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351719
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one (CID 43794247) is 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one is CCN(CC(=O)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one?
The InChIKey is YOVVEMKDLHFKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18(16-11-7-4-8-12-16)14-17(19)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one?
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-one is sourced from PubChem (CID 43794247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).