methyl 3-(N-acetyl-2-methylanilino)propanoate

C13H17NO3 — CID 75507009

IUPACmethyl 3-(N-acetyl-2-methylanilino)propanoate
SMILESCOC(=O)CCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C13H17NO3/c1-10-6-4-5-7-12(10)14(11(2)15)9-8-13(16)17-3/h4-7H,8-9H2,1-3H3
InChIKeyRHVAOJGTSPAIGC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.91
Rot. Bonds4

About methyl 3-(N-acetyl-2-methylanilino)propanoate

methyl 3-(N-acetyl-2-methylanilino)propanoate (PubChem CID 75507009) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 3-(N-acetyl-2-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(N-acetyl-2-methylanilino)propanoate
PubChem CID75507009
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-(N-acetyl-2-methylanilino)propanoate
SMILESCOC(=O)CCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C13H17NO3/c1-10-6-4-5-7-12(10)14(11(2)15)9-8-13(16)17-3/h4-7H,8-9H2,1-3H3
InChIKeyRHVAOJGTSPAIGC-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(N-acetyl-2-methylanilino)propanoate 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

methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
methyl 3-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62013232
N-(4-chloro-3-oxobutyl)-N-(2-methylphenyl)acetamide
CID 104700970
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
methyl 4-(N-ethyl-2-methylanilino)butanoate
CID 43377722
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
methyl 3-(N-(4-cyano-1-methylpyrrole-2-carbonyl)-2-methylanilino)propanoate
CID 75477992
3-[N-(3-methoxypropanoyl)-2-methylanilino]propanoic acid
CID 62590215

Frequently Asked Questions

What is the IUPAC name of methyl 3-(N-acetyl-2-methylanilino)propanoate?
The IUPAC name of methyl 3-(N-acetyl-2-methylanilino)propanoate (CID 75507009) is methyl 3-(N-acetyl-2-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(N-acetyl-2-methylanilino)propanoate?
The canonical SMILES for methyl 3-(N-acetyl-2-methylanilino)propanoate is COC(=O)CCN(C(C)=O)c1ccccc1C.
What is the InChIKey of methyl 3-(N-acetyl-2-methylanilino)propanoate?
The InChIKey is RHVAOJGTSPAIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-6-4-5-7-12(10)14(11(2)15)9-8-13(16)17-3/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 3-(N-acetyl-2-methylanilino)propanoate?
methyl 3-(N-acetyl-2-methylanilino)propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(N-acetyl-2-methylanilino)propanoate is sourced from PubChem (CID 75507009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).