(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide

C21H25NO2 — CID 10567948

IUPAC(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-4-22(5-2)21(23)16-13-18-11-14-20(15-12-18)24-17(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3/b16-13+
InChIKeyVTCMNEXVNMQPBG-DTQAZKPQSA-N
MW323.44 g/mol
LogP4.71
Rot. Bonds7

About (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide

(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide (PubChem CID 10567948) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide
PubChem CID10567948
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide
SMILESCCN(CC)C(=O)/C=C/c1ccc(OC(C)c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-4-22(5-2)21(23)16-13-18-11-14-20(15-12-18)24-17(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3/b16-13+
InChIKeyVTCMNEXVNMQPBG-DTQAZKPQSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-phenylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide (CID 10567948) is (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide is CCN(CC)C(=O)/C=C/c1ccc(OC(C)c2ccccc2)cc1.
What is the InChIKey of (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide?
The InChIKey is VTCMNEXVNMQPBG-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-22(5-2)21(23)16-13-18-11-14-20(15-12-18)24-17(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3/b16-13+.
What are the key properties of (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide?
(E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-[4-(1-phenylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 10567948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).