1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one

C18H29NO — CID 153351230

IUPAC1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one
SMILESCCCN(CC)CC(C)(C)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-6-13-19(8-3)14-18(4,5)17(20)16-11-9-15(7-2)10-12-16/h9-12H,6-8,13-14H2,1-5H3
InChIKeyMCDTWGVBODYHTG-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.19
Rot. Bonds8

About 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one

1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one (PubChem CID 153351230) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one
PubChem CID153351230
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one
SMILESCCCN(CC)CC(C)(C)C(=O)c1ccc(CC)cc1
InChIInChI=1S/C18H29NO/c1-6-13-19(8-3)14-18(4,5)17(20)16-11-9-15(7-2)10-12-16/h9-12H,6-8,13-14H2,1-5H3
InChIKeyMCDTWGVBODYHTG-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-1-(4-ethylphenyl)ethanone
CID 11054111
S-[2-(diethylamino)ethyl] 4-ethylbenzenecarbothioate
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4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
N,N-diethylpropan-1-amine;ethylbenzene
CID 142078527
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
4-(4-ethylphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727213
4-ethylbenzoic acid;formaldehyde
CID 155718391
4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
4-ethylbenzoyl iodide
CID 89147367
1-(4-ethylphenyl)-4,4-dimethylpentan-1-one
CID 62621696

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one (CID 153351230) is 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one is CCCN(CC)CC(C)(C)C(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one?
The InChIKey is MCDTWGVBODYHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-13-19(8-3)14-18(4,5)17(20)16-11-9-15(7-2)10-12-16/h9-12H,6-8,13-14H2,1-5H3.
What are the key properties of 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one?
1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one has a molecular weight of 275.44 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 153351230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).