2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone

C16H21NO2 — CID 64522569

IUPAC2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-8-4-13(5-9-15)16(18)11-17(14-6-7-14)10-12-2-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3
InChIKeyAAJABBJEURLUIH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds7

About 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone (PubChem CID 64522569) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
PubChem CID64522569
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(CC2CC2)C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-8-4-13(5-9-15)16(18)11-17(14-6-7-14)10-12-2-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3
InChIKeyAAJABBJEURLUIH-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62036851
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64522384
N-cyclopropyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79702133
1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 64521389
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
CID 78324505
2,5-bis[3-(4-methoxyphenyl)-3-oxopropyl]cyclopentan-1-one
CID 24807933
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone (CID 64522569) is 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(CC2CC2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is AAJABBJEURLUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-8-4-13(5-9-15)16(18)11-17(14-6-7-14)10-12-2-3-12/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone?
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 259.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 64522569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).