(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide

C12H24N2O4 — CID 118489754

IUPAC(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide
SMILESCCOCCN(C)C(=O)/C(O)=C/C(C)(O)N(C)C
InChIInChI=1S/C12H24N2O4/c1-6-18-8-7-14(5)11(16)10(15)9-12(2,17)13(3)4/h9,15,17H,6-8H2,1-5H3/b10-9-
InChIKeyPSAPUOAZPODWOB-KTKRTIGZSA-N
MW260.33 g/mol
LogP0.19
Rot. Bonds7

About (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide

(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide (PubChem CID 118489754) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide
PubChem CID118489754
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide
SMILESCCOCCN(C)C(=O)/C(O)=C/C(C)(O)N(C)C
InChIInChI=1S/C12H24N2O4/c1-6-18-8-7-14(5)11(16)10(15)9-12(2,17)13(3)4/h9,15,17H,6-8H2,1-5H3/b10-9-
InChIKeyPSAPUOAZPODWOB-KTKRTIGZSA-N
XLogP0.19
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide?
The IUPAC name of (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide (CID 118489754) is (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide?
The canonical SMILES for (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide is CCOCCN(C)C(=O)/C(O)=C/C(C)(O)N(C)C.
What is the InChIKey of (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide?
The InChIKey is PSAPUOAZPODWOB-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-18-8-7-14(5)11(16)10(15)9-12(2,17)13(3)4/h9,15,17H,6-8H2,1-5H3/b10-9-.
What are the key properties of (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide?
(Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide has a molecular weight of 260.33 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(dimethylamino)-N-(2-ethoxyethyl)-2,4-dihydroxy-N-methylpent-2-enamide is sourced from PubChem (CID 118489754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).