methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate

C14H20N2O3 — CID 80556809

IUPACmethyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,10-5-7-11(15)8-6-10)13(18)16(3)9-12(17)19-4/h5-8H,9,15H2,1-4H3
InChIKeyURVXBBNMDKMRLE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate

methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate (PubChem CID 80556809) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
PubChem CID80556809
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,10-5-7-11(15)8-6-10)13(18)16(3)9-12(17)19-4/h5-8H,9,15H2,1-4H3
InChIKeyURVXBBNMDKMRLE-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N,2-dimethylpropanamide
CID 80503099
2-(4-aminophenyl)-N,2-dimethyl-N-[2-(methylamino)ethyl]propanamide
CID 80556205
2-(4-aminophenyl)-N-(cyclopropylmethyl)-N,2-dimethylpropanamide
CID 80556761
2-(4-aminophenyl)-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 80556223
2-(4-aminophenyl)-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 80556874
methyl 2-[(4-aminobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952978
2-(4-aminophenyl)-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
CID 82546856
methyl 2-[(3-amino-2,2-dimethylpropanoyl)-methylamino]acetate
CID 115426447
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
2-(4-aminophenyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 80555110
2-[[2-(4-chlorophenyl)-2-methylpropanoyl]-methylamino]acetic acid
CID 110466167

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate (CID 80556809) is methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate?
The InChIKey is URVXBBNMDKMRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,10-5-7-11(15)8-6-10)13(18)16(3)9-12(17)19-4/h5-8H,9,15H2,1-4H3.
What are the key properties of methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate?
methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-aminophenyl)-2-methylpropanoyl]-methylamino]acetate is sourced from PubChem (CID 80556809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).