(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide

C19H21NO2 — CID 17094994

IUPAC(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
SMILESCCCCOc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c1-2-3-14-22-18-11-7-10-17(15-18)20-19(21)13-12-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,20,21)/b13-12+
InChIKeyMMKUFONOQKKLCO-OUKQBFOZSA-N
MW295.38 g/mol
LogP4.52
Rot. Bonds7

About (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide

(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 17094994) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
PubChem CID17094994
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
SMILESCCCCOc1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21NO2/c1-2-3-14-22-18-11-7-10-17(15-18)20-19(21)13-12-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,20,21)/b13-12+
InChIKeyMMKUFONOQKKLCO-OUKQBFOZSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
3-(4-hydroxyphenyl)-N-(3-octadecoxyphenyl)prop-2-enamide
CID 54182223
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 5049931
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 17195517
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
(E)-N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 19628831

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide (CID 17094994) is (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide is CCCCOc1cccc(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is MMKUFONOQKKLCO-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-3-14-22-18-11-7-10-17(15-18)20-19(21)13-12-16-8-5-4-6-9-16/h4-13,15H,2-3,14H2,1H3,(H,20,21)/b13-12+.
What are the key properties of (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide?
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 17094994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).