1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone

C18H27NO2 — CID 43233074

IUPAC1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-15(20)17-11-7-8-12-18(17)21-14-13-19(2)16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3
InChIKeyQDGJZYWZJZVODC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone (PubChem CID 43233074) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
PubChem CID43233074
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-15(20)17-11-7-8-12-18(17)21-14-13-19(2)16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3
InChIKeyQDGJZYWZJZVODC-UHFFFAOYSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 62547332
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
2-[2-[(1,1-dioxothiolan-3-yl)-methylamino]ethoxy]benzoic acid
CID 20993517
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone (CID 43233074) is 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)C1CCCCCC1.
What is the InChIKey of 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is QDGJZYWZJZVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-15(20)17-11-7-8-12-18(17)21-14-13-19(2)16-9-5-3-4-6-10-16/h7-8,11-12,16H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 43233074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).