methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate

C16H23NO4 — CID 112533174

IUPACmethyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-4-13(11-16(19)21-3)17-15(18)10-9-12-7-5-6-8-14(12)20-2/h5-8,13H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyKXENRUAGWYJMAN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds8

About methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate

methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate (PubChem CID 112533174) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
PubChem CID112533174
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)CCc1ccccc1OC
InChIInChI=1S/C16H23NO4/c1-4-13(11-16(19)21-3)17-15(18)10-9-12-7-5-6-8-14(12)20-2/h5-8,13H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyKXENRUAGWYJMAN-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypentan-3-yl)-3-(2-methoxyphenyl)propanamide
CID 115767199
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
CID 110476823
(2S)-2-[3-(2-methoxyphenyl)propanoylamino]-3-methylpentanoic acid
CID 61172911
3-[[3-(2-methoxyphenyl)propanoylamino]methyl]pentanoic acid
CID 81066007
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218
3-(3,4-dimethoxyphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 45433011
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
methyl 3-[3-(4-tert-butylphenyl)propanoylamino]pentanoate
CID 112533178
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate?
The IUPAC name of methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate (CID 112533174) is methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate?
The canonical SMILES for methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate is CCC(CC(=O)OC)NC(=O)CCc1ccccc1OC.
What is the InChIKey of methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate?
The InChIKey is KXENRUAGWYJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-13(11-16(19)21-3)17-15(18)10-9-12-7-5-6-8-14(12)20-2/h5-8,13H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate?
methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate has a molecular weight of 293.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate is sourced from PubChem (CID 112533174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).