1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one

C12H23NO3 — CID 107507311

IUPAC1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-16-10-12(15)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,2-10H2,1H3
InChIKeyZMXHTPREOPNNHI-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.83
Rot. Bonds7

About 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one

1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one (PubChem CID 107507311) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
PubChem CID107507311
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
SMILESCOCC(=O)CN(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-16-10-12(15)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,2-10H2,1H3
InChIKeyZMXHTPREOPNNHI-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-(3-methoxy-2-oxopropyl)amino]acetamide
CID 107507302
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
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1-[cyclohexyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395277
propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one?
The IUPAC name of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one (CID 107507311) is 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one?
The canonical SMILES for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one is COCC(=O)CN(CCO)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one?
The InChIKey is ZMXHTPREOPNNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-16-10-12(15)9-13(7-8-14)11-5-3-2-4-6-11/h11,14H,2-10H2,1H3.
What are the key properties of 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one?
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one has a molecular weight of 229.32 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one is sourced from PubChem (CID 107507311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).