(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

C18H26N2O5 — CID 76962800

IUPAC(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C14H22N2O.C4H4O4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;5-3(6)1-2-4(7)8/h7-9H,5-6,10H2,1-4H3,(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyCPOVYOJEOWEAGA-BTJKTKAUSA-N
MW350.42 g/mol
LogP2.30
Rot. Bonds7

About (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 76962800) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
PubChem CID76962800
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C14H22N2O.C4H4O4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;5-3(6)1-2-4(7)8/h7-9H,5-6,10H2,1-4H3,(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyCPOVYOJEOWEAGA-BTJKTKAUSA-N
XLogP2.30
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide (CID 76962800) is (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide is CCN(CC)CC(=O)Nc1c(C)cccc1C.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is CPOVYOJEOWEAGA-BTJKTKAUSA-N. The full InChI is InChI=1S/C14H22N2O.C4H4O4/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;5-3(6)1-2-4(7)8/h7-9H,5-6,10H2,1-4H3,(H,15,17);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide?
(Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 76962800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).