2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate

C17H24N2O5 — CID 152696578

IUPAC2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)c1c(OC)cc(C(C)=O)c(N)c1OC
InChIInChI=1S/C17H24N2O5/c1-10(2)17(21)24-8-7-19(4)15-13(22-5)9-12(11(3)20)14(18)16(15)23-6/h9H,1,7-8,18H2,2-6H3
InChIKeyZQRIUGDKWXUMHP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.04
Rot. Bonds8

About 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate

2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate (PubChem CID 152696578) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate
PubChem CID152696578
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C)c1c(OC)cc(C(C)=O)c(N)c1OC
InChIInChI=1S/C17H24N2O5/c1-10(2)17(21)24-8-7-19(4)15-13(22-5)9-12(11(3)20)14(18)16(15)23-6/h9H,1,7-8,18H2,2-6H3
InChIKeyZQRIUGDKWXUMHP-UHFFFAOYSA-N
XLogP2.04
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-acetyl-3-amino-2-(hydroxymethyl)-6-methoxyphenyl]ethyl 2-methylprop-2-enoate
CID 153304874
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethane;formaldehyde
CID 142905886
2-[3-acetamido-4-amino-N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]ethyl 2-methylprop-2-enoate
CID 134354679
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl 2-hydroxyprop-2-enoate
CID 174893121
3-(2,3,4-trimethoxyphenyl)propyl 2-methylprop-2-enoate
CID 175430162
3-[4-(dimethylamino)-N-methylanilino]propyl 2-methylprop-2-enoate
CID 102277470
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 142015863
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate (CID 152696578) is 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C)c1c(OC)cc(C(C)=O)c(N)c1OC.
What is the InChIKey of 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate?
The InChIKey is ZQRIUGDKWXUMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10(2)17(21)24-8-7-19(4)15-13(22-5)9-12(11(3)20)14(18)16(15)23-6/h9H,1,7-8,18H2,2-6H3.
What are the key properties of 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate?
2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate has a molecular weight of 336.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-amino-2,6-dimethoxy-N-methylanilino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 152696578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).