(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide

C23H27N3O2 — CID 78778090

IUPAC(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-3-26(4-2)22(20-8-6-5-7-9-20)18-25-23(27)15-12-19-10-13-21(14-11-19)28-17-16-24/h5-15,22H,3-4,17-18H2,1-2H3,(H,25,27)/b15-12+
InChIKeyUQAVWFBVJRTROW-NTCAYCPXSA-N
MW377.49 g/mol
LogP3.80
Rot. Bonds10

About (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide

(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide (PubChem CID 78778090) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide
PubChem CID78778090
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide
SMILESCCN(CC)C(CNC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-3-26(4-2)22(20-8-6-5-7-9-20)18-25-23(27)15-12-19-10-13-21(14-11-19)28-17-16-24/h5-15,22H,3-4,17-18H2,1-2H3,(H,25,27)/b15-12+
InChIKeyUQAVWFBVJRTROW-NTCAYCPXSA-N
XLogP3.80
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 78778186
(Z)-N-[(2S)-2-(diethylamino)-2-phenylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 98439360
(E)-3-[4-(cyanomethoxy)phenyl]-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 37315764
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78780303
3-[4-(cyanomethoxy)phenyl]-N-(2-hydroxy-2,3-dimethylpentyl)prop-2-enamide
CID 111485986
(E)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 55337515
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 27174006
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9301543
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 78778210
(E)-3-[4-(cyanomethoxy)phenyl]-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 26796222
2-[4-[(Z)-3-phenylprop-2-enoyl]phenoxy]acetonitrile
CID 92909370
methyl 4-[(E)-3-[4-(cyanomethoxy)anilino]-3-oxoprop-1-enyl]benzoate
CID 30873433

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide (CID 78778090) is (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide is CCN(CC)C(CNC(=O)/C=C/c1ccc(OCC#N)cc1)c1ccccc1.
What is the InChIKey of (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide?
The InChIKey is UQAVWFBVJRTROW-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-26(4-2)22(20-8-6-5-7-9-20)18-25-23(27)15-12-19-10-13-21(14-11-19)28-17-16-24/h5-15,22H,3-4,17-18H2,1-2H3,(H,25,27)/b15-12+.
What are the key properties of (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide?
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide has a molecular weight of 377.49 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(diethylamino)-2-phenylethyl]prop-2-enamide is sourced from PubChem (CID 78778090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).