5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate

C15H19ClNO3- — CID 7324495

IUPAC5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-15(2,10-14(19)20)9-13(18)17-8-7-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyXEGPURSHWRBNOJ-UHFFFAOYSA-M
MW296.77 g/mol
LogP1.55
Rot. Bonds7

About 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate

5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate (PubChem CID 7324495) has the molecular formula C15H19ClNO3- and a molecular weight of 296.77 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate
PubChem CID7324495
Molecular FormulaC15H19ClNO3-
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate
SMILESCC(C)(CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-15(2,10-14(19)20)9-13(18)17-8-7-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyXEGPURSHWRBNOJ-UHFFFAOYSA-M
XLogP1.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574334
2-tert-butylsulfanyl-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 78768343
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
3-(4-chlorophenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110301247
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 61259854
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810
tert-butyl N-[4-[2-(4-chlorophenyl)ethylamino]-4-oxobutyl]carbamate
CID 9211021

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate (CID 7324495) is 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate is CC(C)(CC(=O)[O-])CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate?
The InChIKey is XEGPURSHWRBNOJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20ClNO3/c1-15(2,10-14(19)20)9-13(18)17-8-7-11-3-5-12(16)6-4-11/h3-6H,7-10H2,1-2H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate?
5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate has a molecular weight of 296.77 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoate is sourced from PubChem (CID 7324495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).