2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone

C16H23NO — CID 43795468

IUPAC2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(CC)cc1)C1CC1
InChIInChI=1S/C16H23NO/c1-3-11-17(15-9-10-15)12-16(18)14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyYSXOZLHNUOHFLX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.31
Rot. Bonds7

About 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone

2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone (PubChem CID 43795468) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
PubChem CID43795468
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone
SMILESCCCN(CC(=O)c1ccc(CC)cc1)C1CC1
InChIInChI=1S/C16H23NO/c1-3-11-17(15-9-10-15)12-16(18)14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyYSXOZLHNUOHFLX-UHFFFAOYSA-N
XLogP3.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(dipropylamino)piperidin-1-yl]-(4-ethylphenyl)methanone;ethane
CID 144801733
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
4-[2-[piperidin-4-yl(propyl)amino]acetyl]benzonitrile
CID 62029927
2-[cyclopropyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795545
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
2-[cyclopropyl(propyl)amino]-1-(2,6-difluorophenyl)ethanone
CID 43795478
2-[cyclopropyl(propyl)amino]-1-(2,5-dimethylphenyl)ethanone
CID 43795464
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62031291
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetamide
CID 56812522
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
1-(1,3-benzodioxol-5-yl)-2-[butyl(cyclopropyl)amino]ethanone
CID 61445343

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone (CID 43795468) is 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone is CCCN(CC(=O)c1ccc(CC)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone?
The InChIKey is YSXOZLHNUOHFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-11-17(15-9-10-15)12-16(18)14-7-5-13(4-2)6-8-14/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone?
2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(propyl)amino]-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 43795468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).