2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one

C16H23NO — CID 43794990

IUPAC2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(CC)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-4-13-6-8-14(9-7-13)16(18)12(3)17(5-2)15-10-11-15/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyNZRDWMABDMGOAV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.30
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one

2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one (PubChem CID 43794990) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
PubChem CID43794990
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)N(CC)C2CC2)cc1
InChIInChI=1S/C16H23NO/c1-4-13-6-8-14(9-7-13)16(18)12(3)17(5-2)15-10-11-15/h6-9,12,15H,4-5,10-11H2,1-3H3
InChIKeyNZRDWMABDMGOAV-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051971
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
CID 103455896
1-(4-ethylphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-one
CID 63273846
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-methylpentanamide
CID 61173219
1-(4-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]propan-1-one
CID 113499699

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one (CID 43794990) is 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)N(CC)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one?
The InChIKey is NZRDWMABDMGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-13-6-8-14(9-7-13)16(18)12(3)17(5-2)15-10-11-15/h6-9,12,15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one?
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 43794990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).