(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide

C16H23NO — CID 6152953

IUPAC(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-17(6-2)16(18)12-9-14-7-10-15(11-8-14)13(3)4/h7-13H,5-6H2,1-4H3/b12-9+
InChIKeyDIRGUZCNQBSSPU-FMIVXFBMSA-N
MW245.37 g/mol
LogP3.69
Rot. Bonds5

About (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6152953) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6152953
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C16H23NO/c1-5-17(6-2)16(18)12-9-14-7-10-15(11-8-14)13(3)4/h7-13H,5-6H2,1-4H3/b12-9+
InChIKeyDIRGUZCNQBSSPU-FMIVXFBMSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6152953) is (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is DIRGUZCNQBSSPU-FMIVXFBMSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-17(6-2)16(18)12-9-14-7-10-15(11-8-14)13(3)4/h7-13H,5-6H2,1-4H3/b12-9+.
What are the key properties of (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6152953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).