methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate

C16H23NO3 — CID 110476824

IUPACmethyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H23NO3/c1-4-14(11-16(19)20-3)17-15(18)10-9-13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyYVTKYIMSFCCMLK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.39
Rot. Bonds7

About methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate

methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate (PubChem CID 110476824) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
PubChem CID110476824
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C16H23NO3/c1-4-14(11-16(19)20-3)17-15(18)10-9-13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyYVTKYIMSFCCMLK-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
CID 110476823
methyl 3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]propanoate
CID 91743844
methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
CID 112533174
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920079
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate?
The IUPAC name of methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate (CID 110476824) is methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate?
The canonical SMILES for methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate is CCC(CC(=O)OC)NC(=O)CCc1ccc(C)cc1.
What is the InChIKey of methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate?
The InChIKey is YVTKYIMSFCCMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-14(11-16(19)20-3)17-15(18)10-9-13-7-5-12(2)6-8-13/h5-8,14H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate?
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate has a molecular weight of 277.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate is sourced from PubChem (CID 110476824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).