2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone

C16H23NO3 — CID 62034936

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCO)C1CCCC1
InChIInChI=1S/C16H23NO3/c1-20-16-9-5-4-8-14(16)15(19)12-17(10-11-18)13-6-2-3-7-13/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
InChIKeyYKGYDCPXELIQBP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.11
Rot. Bonds7

About 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone

2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 62034936) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID62034936
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CCO)C1CCCC1
InChIInChI=1S/C16H23NO3/c1-20-16-9-5-4-8-14(16)15(19)12-17(10-11-18)13-6-2-3-7-13/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3
InChIKeyYKGYDCPXELIQBP-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
2-[cyclohexyl(ethyl)amino]-1-(2-ethoxyphenyl)ethanone
CID 43794243
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 62036284
2-[cyclohexyl(ethyl)amino]-1-(2-methylphenyl)ethanone
CID 43794251
2-[cyclobutyl(2-hydroxyethyl)amino]-1-thiophen-2-ylethanone
CID 102864515
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 107481149
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 62035131
1-(3-bromo-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030716
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62029955
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone (CID 62034936) is 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is YKGYDCPXELIQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16-9-5-4-8-14(16)15(19)12-17(10-11-18)13-6-2-3-7-13/h4-5,8-9,13,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone?
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 62034936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).