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

C14H19NO — CID 6088203

IUPAC(E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO/c1-4-15-14(16)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3,(H,15,16)/b10-7+
InChIKeyLBQIBIFSOTUTDC-JXMROGBWSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds4

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

(E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 6088203) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID6088203
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1ccc(C(C)C)cc1
InChIInChI=1S/C14H19NO/c1-4-15-14(16)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3,(H,15,16)/b10-7+
InChIKeyLBQIBIFSOTUTDC-JXMROGBWSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
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-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 6088203) is (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide is CCNC(=O)/C=C/c1ccc(C(C)C)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is LBQIBIFSOTUTDC-JXMROGBWSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-15-14(16)10-7-12-5-8-13(9-6-12)11(2)3/h5-11H,4H2,1-3H3,(H,15,16)/b10-7+.
What are the key properties of (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6088203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).