methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate

C15H22N2O4 — CID 104644043

IUPACmethyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)13(18)17-9-8-16-10-15(2,20)14(19)21-3/h4-7,16,20H,8-10H2,1-3H3,(H,17,18)
InChIKeyVWPFUFNKZUBTEV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.24
Rot. Bonds7

About methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate

methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate (PubChem CID 104644043) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
PubChem CID104644043
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)13(18)17-9-8-16-10-15(2,20)14(19)21-3/h4-7,16,20H,8-10H2,1-3H3,(H,17,18)
InChIKeyVWPFUFNKZUBTEV-UHFFFAOYSA-N
XLogP0.24
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]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

2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoic acid
CID 104644042
N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-[2-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]-4-methylbenzamide
CID 81419217
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate (CID 104644043) is methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate is COC(=O)C(C)(O)CNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate?
The InChIKey is VWPFUFNKZUBTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-4-6-12(7-5-11)13(18)17-9-8-16-10-15(2,20)14(19)21-3/h4-7,16,20H,8-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate?
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate has a molecular weight of 294.35 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate is sourced from PubChem (CID 104644043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).