2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate

C14H18N2O3 — CID 142015863

IUPAC2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H18N2O3/c1-10(2)14(18)19-9-8-16(3)13(17)11-4-6-12(15)7-5-11/h4-7H,1,8-9,15H2,2-3H3
InChIKeyVYADQWHPLKOQGA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.46
Rot. Bonds5

About 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate

2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate (PubChem CID 142015863) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
PubChem CID142015863
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H18N2O3/c1-10(2)14(18)19-9-8-16(3)13(17)11-4-6-12(15)7-5-11/h4-7H,1,8-9,15H2,2-3H3
InChIKeyVYADQWHPLKOQGA-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
4-amino-N-(2-dimethylarsanylethyl)-N-methylbenzamide
CID 175266582
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 123993867
4-amino-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 22567507
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate (CID 142015863) is 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is VYADQWHPLKOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)14(18)19-9-8-16(3)13(17)11-4-6-12(15)7-5-11/h4-7H,1,8-9,15H2,2-3H3.
What are the key properties of 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate?
2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 142015863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).