(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide

C19H28N2O6 — CID 24832558

IUPAC(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCCN(C)C)C(C)=O)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C15H24N2O2.C4H4O4/c1-5-19-15-9-7-14(8-10-15)17(13(2)18)12-6-11-16(3)4;5-3(6)1-2-4(7)8/h7-10H,5-6,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyAESKVQITOJJWSV-WLHGVMLRSA-N
MW380.44 g/mol
LogP2.10
Rot. Bonds9

About (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide

(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 24832558) has the molecular formula C19H28N2O6 and a molecular weight of 380.44 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide
PubChem CID24832558
Molecular FormulaC19H28N2O6
Molecular Weight380.44 g/mol
Exact Mass380.19
IUPAC Name(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(N(CCCN(C)C)C(C)=O)cc1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C15H24N2O2.C4H4O4/c1-5-19-15-9-7-14(8-10-15)17(13(2)18)12-6-11-16(3)4;5-3(6)1-2-4(7)8/h7-10H,5-6,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyAESKVQITOJJWSV-WLHGVMLRSA-N
XLogP2.10
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
N-[3-(dimethylamino)propyl]-N-(4-ethylphenyl)acetamide
CID 137469739
3-[N-[3-(dimethylamino)propyl]-4-ethoxyanilino]propanoic acid
CID 82319961
2-(N-acetyl-4-ethoxyanilino)ethyl-dimethylazanium chloride
CID 110173917
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N'-benzyl-N'-(4-ethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 24843292
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
CID 113060837
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide (CID 24832558) is (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(N(CCCN(C)C)C(C)=O)cc1.O=C(O)/C=C/C(=O)O.
What is the InChIKey of (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AESKVQITOJJWSV-WLHGVMLRSA-N. The full InChI is InChI=1S/C15H24N2O2.C4H4O4/c1-5-19-15-9-7-14(8-10-15)17(13(2)18)12-6-11-16(3)4;5-3(6)1-2-4(7)8/h7-10H,5-6,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+.
What are the key properties of (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide?
(E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;N-[3-(dimethylamino)propyl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 24832558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).