methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate

C13H18N2O2 — CID 11601103

IUPACmethyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O2/c1-10-6-5-7-11(8-10)14-12(9-15(2)3)13(16)17-4/h5-9,14H,1-4H3/b12-9-
InChIKeyAWNMJQJEUSAQST-XFXZXTDPSA-N
MW234.30 g/mol
LogP1.98
Rot. Bonds4

About methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate

methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate (PubChem CID 11601103) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate
PubChem CID11601103
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O2/c1-10-6-5-7-11(8-10)14-12(9-15(2)3)13(16)17-4/h5-9,14H,1-4H3/b12-9-
InChIKeyAWNMJQJEUSAQST-XFXZXTDPSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)acetamide
CID 10843
methyl (Z)-3-(3-methylanilino)but-2-enoate
CID 129322620
1-(5-bromo-2-methoxyphenyl)-3-(3-methylphenyl)urea
CID 47322508
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
dimethyl (E)-2-(3-phenylanilino)but-2-enedioate
CID 14626592
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
methyl 2-methyl-2-[(3-methylphenyl)carbamoylamino]propanoate
CID 3684111
dimethyl (E)-2-[3-[(2,4-dimethylphenoxy)methyl]anilino]but-2-enedioate
CID 168569715

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate (CID 11601103) is methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate is COC(=O)/C(=C/N(C)C)Nc1cccc(C)c1.
What is the InChIKey of methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate?
The InChIKey is AWNMJQJEUSAQST-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-6-5-7-11(8-10)14-12(9-15(2)3)13(16)17-4/h5-9,14H,1-4H3/b12-9-.
What are the key properties of methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate?
methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate has a molecular weight of 234.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(dimethylamino)-2-(3-methylanilino)prop-2-enoate is sourced from PubChem (CID 11601103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).