(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide

C25H33NO2 — CID 54688661

IUPAC(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\O)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H33NO2/c1-9-26(10-2)25(28)23(21-17(5)11-15(3)12-18(21)6)24(27)22-19(7)13-16(4)14-20(22)8/h11-14,27H,9-10H2,1-8H3/b24-23-
InChIKeyDFWZJPHZFRJEJQ-VHXPQNKSSA-N
MW379.54 g/mol
LogP5.83
Rot. Bonds5

About (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide

(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 54688661) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID54688661
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC Name(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(=C(\O)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C25H33NO2/c1-9-26(10-2)25(28)23(21-17(5)11-15(3)12-18(21)6)24(27)22-19(7)13-16(4)14-20(22)8/h11-14,27H,9-10H2,1-8H3/b24-23-
InChIKeyDFWZJPHZFRJEJQ-VHXPQNKSSA-N
XLogP5.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide (CID 54688661) is (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide is CCN(CC)C(=O)/C(=C(\O)c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is DFWZJPHZFRJEJQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C25H33NO2/c1-9-26(10-2)25(28)23(21-17(5)11-15(3)12-18(21)6)24(27)22-19(7)13-16(4)14-20(22)8/h11-14,27H,9-10H2,1-8H3/b24-23-.
What are the key properties of (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide?
(Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 379.54 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-hydroxy-2,3-bis(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 54688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).