cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone

C16H23NO2 — CID 172702212

IUPACcyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
SMILESCCNc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H23NO2/c1-3-17-14-11-13(9-10-15(14)19-2)16(18)12-7-5-4-6-8-12/h9-12,17H,3-8H2,1-2H3
InChIKeyDCOIJRCBDASJAT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds5

About cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone

cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone (PubChem CID 172702212) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
PubChem CID172702212
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namecyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
SMILESCCNc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H23NO2/c1-3-17-14-11-13(9-10-15(14)19-2)16(18)12-7-5-4-6-8-12/h9-12,17H,3-8H2,1-2H3
InChIKeyDCOIJRCBDASJAT-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
CID 110427164
cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone
CID 110613398
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
CID 172859147
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(4-methoxy-3-methylphenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917590
4-methoxy-3-(oxolan-2-ylmethylamino)benzoic acid
CID 82836476
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The IUPAC name of cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone (CID 172702212) is cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone.
What is the SMILES notation for cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The canonical SMILES for cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone is CCNc1cc(C(=O)C2CCCCC2)ccc1OC.
What is the InChIKey of cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
The InChIKey is DCOIJRCBDASJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-17-14-11-13(9-10-15(14)19-2)16(18)12-7-5-4-6-8-12/h9-12,17H,3-8H2,1-2H3.
What are the key properties of cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone?
cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone has a molecular weight of 261.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone is sourced from PubChem (CID 172702212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).