methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate

C14H20N2O3 — CID 120633675

IUPACmethyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(15)7-11(9)12(17)16-8-14(2,3)13(18)19-4/h5-7H,8,15H2,1-4H3,(H,16,17)
InChIKeyWEURXDOQECGNEW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.51
Rot. Bonds4

About methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate

methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate (PubChem CID 120633675) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
PubChem CID120633675
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H20N2O3/c1-9-5-6-10(15)7-11(9)12(17)16-8-14(2,3)13(18)19-4/h5-7H,8,15H2,1-4H3,(H,16,17)
InChIKeyWEURXDOQECGNEW-UHFFFAOYSA-N
XLogP1.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-amino-2-chlorobenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789369
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
5-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120624182
5-amino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide;hydrochloride
CID 120620047
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
5-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-2-methylbenzamide;hydrochloride
CID 120630065
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate (CID 120633675) is methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)c1cc(N)ccc1C.
What is the InChIKey of methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate?
The InChIKey is WEURXDOQECGNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-5-6-10(15)7-11(9)12(17)16-8-14(2,3)13(18)19-4/h5-7H,8,15H2,1-4H3,(H,16,17).
What are the key properties of methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate has a molecular weight of 264.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-2-methylbenzoyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 120633675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).