2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone

C16H25NO — CID 43795164

IUPAC2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(CC)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-5-7-14-8-10-15(11-9-14)16(18)12-17(6-2)13(3)4/h8-11,13H,5-7,12H2,1-4H3
InChIKeyOWRGZSSKKZWDPM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.55
Rot. Bonds7

About 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone

2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone (PubChem CID 43795164) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
PubChem CID43795164
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN(CC)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-5-7-14-8-10-15(11-9-14)16(18)12-17(6-2)13(3)4/h8-11,13H,5-7,12H2,1-4H3
InChIKeyOWRGZSSKKZWDPM-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 43795097
1-(3,4-dihydroxyphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795104
1-(3,4-dimethylphenyl)-2-[ethyl(propan-2-yl)amino]ethanone
CID 43795100
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
2-[butan-2-yl(ethyl)amino]-1-(4-fluorophenyl)ethanone
CID 43795952
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanone
CID 107771489
2-[methyl(2-methylsulfanylethyl)amino]-1-(4-propylphenyl)ethanone
CID 112661909
2-(2-methylpropylsulfinyl)-1-(4-propylphenyl)ethanone
CID 64640317
2-[ethyl(furan-2-ylmethyl)amino]-1-(4-propylphenyl)ethanone
CID 62037203
1-(4-propylphenyl)decan-1-one
CID 65449493

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone (CID 43795164) is 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN(CC)C(C)C)cc1.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone?
The InChIKey is OWRGZSSKKZWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-7-14-8-10-15(11-9-14)16(18)12-17(6-2)13(3)4/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone?
2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 43795164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).