1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one

C16H24ClNO2 — CID 62618012

IUPAC1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one
SMILESCCC(CC)N(CCO)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-3-15(4-2)18(11-12-19)10-9-16(20)13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-12H2,1-2H3
InChIKeyBBEOVKZEMYHDMF-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.40
Rot. Bonds9

About 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one

1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one (PubChem CID 62618012) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one
PubChem CID62618012
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one
SMILESCCC(CC)N(CCO)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-3-15(4-2)18(11-12-19)10-9-16(20)13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-12H2,1-2H3
InChIKeyBBEOVKZEMYHDMF-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[ethyl(1-methoxypropan-2-yl)amino]propan-1-one
CID 62619707
1-(4-chlorophenyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 62619359
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023
3-chloro-4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]benzamide
CID 102669681
3-[2-hydroxyethyl(pentan-3-yl)amino]propanehydrazide
CID 63585165
2-[2-hydroxyethyl(propan-2-yl)amino]-1-(4-propan-2-ylphenyl)ethanone
CID 62030140
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
1-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-one
CID 62619386
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
2-butan-2-yloxy-1-(4-chlorophenyl)ethanone
CID 60902738
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one (CID 62618012) is 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one is CCC(CC)N(CCO)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one?
The InChIKey is BBEOVKZEMYHDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-3-15(4-2)18(11-12-19)10-9-16(20)13-5-7-14(17)8-6-13/h5-8,15,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one?
1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one has a molecular weight of 297.83 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-hydroxyethyl(pentan-3-yl)amino]propan-1-one is sourced from PubChem (CID 62618012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).