methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate

C16H23NO4 — CID 78781017

IUPACmethyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C16H23NO4/c1-5-12(6-2)15(18)17-10-11-7-8-14(20-3)13(9-11)16(19)21-4/h7-9,12H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyFOMJPBJZVBVPMT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.53
Rot. Bonds7

About methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate

methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate (PubChem CID 78781017) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
PubChem CID78781017
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
SMILESCCC(CC)C(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C16H23NO4/c1-5-12(6-2)15(18)17-10-11-7-8-14(20-3)13(9-11)16(19)21-4/h7-9,12H,5-6,10H2,1-4H3,(H,17,18)
InChIKeyFOMJPBJZVBVPMT-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate 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

2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
methyl 2-methoxy-5-[[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]methyl]benzoate
CID 55770623
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 5-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111890874
methyl 5-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]-2-methoxybenzoate
CID 51537459
methyl 5-[[[(2S)-2-but-3-enoxypropanoyl]amino]methyl]-2-methoxybenzoate
CID 95272521
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 18113017
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate (CID 78781017) is methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate is CCC(CC)C(=O)NCc1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate?
The InChIKey is FOMJPBJZVBVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-12(6-2)15(18)17-10-11-7-8-14(20-3)13(9-11)16(19)21-4/h7-9,12H,5-6,10H2,1-4H3,(H,17,18).
What are the key properties of methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate?
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate has a molecular weight of 293.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate is sourced from PubChem (CID 78781017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).