5-oxo-5-(4-propan-2-ylanilino)pentanoate

C14H18NO3- — CID 7038718

IUPAC5-oxo-5-(4-propan-2-ylanilino)pentanoate
SMILESCC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyLZYZSKLWEPKIDL-UHFFFAOYSA-M
MW248.30 g/mol
LogP1.67
Rot. Bonds6

About 5-oxo-5-(4-propan-2-ylanilino)pentanoate

5-oxo-5-(4-propan-2-ylanilino)pentanoate (PubChem CID 7038718) has the molecular formula C14H18NO3- and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-oxo-5-(4-propan-2-ylanilino)pentanoate.

Molecular Properties

Compound Name5-oxo-5-(4-propan-2-ylanilino)pentanoate
PubChem CID7038718
Molecular FormulaC14H18NO3-
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name5-oxo-5-(4-propan-2-ylanilino)pentanoate
SMILESCC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1
InChIInChI=1S/C14H19NO3/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-1
InChIKeyLZYZSKLWEPKIDL-UHFFFAOYSA-M
XLogP1.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
5-[2-(3-methylbutoxy)ethoxy]-N-(4-propan-2-ylphenyl)pentanamide
CID 160587393
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
CID 56695059
N-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 56659537
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
CID 835055

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(4-propan-2-ylanilino)pentanoate?
The IUPAC name of 5-oxo-5-(4-propan-2-ylanilino)pentanoate (CID 7038718) is 5-oxo-5-(4-propan-2-ylanilino)pentanoate.
What is the SMILES notation for 5-oxo-5-(4-propan-2-ylanilino)pentanoate?
The canonical SMILES for 5-oxo-5-(4-propan-2-ylanilino)pentanoate is CC(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1.
What is the InChIKey of 5-oxo-5-(4-propan-2-ylanilino)pentanoate?
The InChIKey is LZYZSKLWEPKIDL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO3/c1-10(2)11-6-8-12(9-7-11)15-13(16)4-3-5-14(17)18/h6-10H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of 5-oxo-5-(4-propan-2-ylanilino)pentanoate?
5-oxo-5-(4-propan-2-ylanilino)pentanoate has a molecular weight of 248.30 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-propan-2-ylanilino)pentanoate is sourced from PubChem (CID 7038718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).