methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate

C17H23NO3 — CID 82349366

IUPACmethyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)C(CC(=O)OC)NC2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-3-4-12-5-7-13(8-6-12)17(20)15(11-16(19)21-2)18-14-9-10-14/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyFALLPFHKTSQIII-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.51
Rot. Bonds8

About methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate

methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate (PubChem CID 82349366) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate
PubChem CID82349366
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(C(=O)C(CC(=O)OC)NC2CC2)cc1
InChIInChI=1S/C17H23NO3/c1-3-4-12-5-7-13(8-6-12)17(20)15(11-16(19)21-2)18-14-9-10-14/h5-8,14-15,18H,3-4,9-11H2,1-2H3
InChIKeyFALLPFHKTSQIII-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(cyclopropylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347728
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
methyl 3-(cyclopropylamino)-4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 82347625
methyl 3-(cyclopropylamino)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 82349976
3-(cyclopropylamino)-4-(4-methoxyphenyl)-4-oxobutanoic acid
CID 82322525
2,2-dimethoxy-1-(4-propylphenyl)ethanone
CID 79493319
3-(cyclopropylamino)-4-(4-propylphenyl)butanoic acid
CID 82351006
3-(cyclopropylamino)-4-[4-(2-methylpropyl)phenyl]-4-oxobutanoic acid
CID 82322826
methyl 3-(cyclopropylamino)-4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 82349605
methyl 3-(tert-butylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347719
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The IUPAC name of methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate (CID 82349366) is methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The canonical SMILES for methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate is CCCc1ccc(C(=O)C(CC(=O)OC)NC2CC2)cc1.
What is the InChIKey of methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate?
The InChIKey is FALLPFHKTSQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-4-12-5-7-13(8-6-12)17(20)15(11-16(19)21-2)18-14-9-10-14/h5-8,14-15,18H,3-4,9-11H2,1-2H3.
What are the key properties of methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate?
methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate has a molecular weight of 289.38 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)-4-oxo-4-(4-propylphenyl)butanoate is sourced from PubChem (CID 82349366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).