2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone

C16H23NO2 — CID 55001836

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CC(C)C)C1CC1
InChIInChI=1S/C16H23NO2/c1-12(2)10-17(13-8-9-13)11-15(18)14-6-4-5-7-16(14)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVBKUKVFAPLRXAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds7

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone

2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 55001836) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID55001836
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(CC(C)C)C1CC1
InChIInChI=1S/C16H23NO2/c1-12(2)10-17(13-8-9-13)11-15(18)14-6-4-5-7-16(14)19-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVBKUKVFAPLRXAY-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 62034936
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
5-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-methoxybenzoic acid
CID 65339032
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 104552748
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 55002176
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
N-(2-acetylphenyl)-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 43065753
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 55002081

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone (CID 55001836) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(CC(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is VBKUKVFAPLRXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)10-17(13-8-9-13)11-15(18)14-6-4-5-7-16(14)19-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone?
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 55001836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).