(E)-N,N-diethyl-3-phenylprop-2-enamide

C13H17NO — CID 817779

IUPAC(E)-N,N-diethyl-3-phenylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyGUYVMSJRMMFSQO-ZHACJKMWSA-N
MW203.28 g/mol
LogP2.57
Rot. Bonds4

About (E)-N,N-diethyl-3-phenylprop-2-enamide

(E)-N,N-diethyl-3-phenylprop-2-enamide (PubChem CID 817779) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-phenylprop-2-enamide
PubChem CID817779
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-N,N-diethyl-3-phenylprop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+
InChIKeyGUYVMSJRMMFSQO-ZHACJKMWSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.57
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-phenylprop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-phenylprop-2-enamide (CID 817779) is (E)-N,N-diethyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-phenylprop-2-enamide is CCN(CC)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N,N-diethyl-3-phenylprop-2-enamide?
The InChIKey is GUYVMSJRMMFSQO-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-14(4-2)13(15)11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+.
What are the key properties of (E)-N,N-diethyl-3-phenylprop-2-enamide?
(E)-N,N-diethyl-3-phenylprop-2-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.57, 4 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-phenylprop-2-enamide is sourced from PubChem (CID 817779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).