(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide

C22H21NO2 — CID 42773296

IUPAC(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C22H21NO2/c1-18-12-14-21(25-18)17-23(16-20-10-6-3-7-11-20)22(24)15-13-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3/b15-13+
InChIKeyKEFRBWVFSGPMKT-FYWRMAATSA-N
MW331.42 g/mol
LogP4.83
Rot. Bonds6

About (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide

(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide (PubChem CID 42773296) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
PubChem CID42773296
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)/C=C/c2ccccc2)o1
InChIInChI=1S/C22H21NO2/c1-18-12-14-21(25-18)17-23(16-20-10-6-3-7-11-20)22(24)15-13-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3/b15-13+
InChIKeyKEFRBWVFSGPMKT-FYWRMAATSA-N
XLogP4.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.83
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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Related Compounds

(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-phenylethenylsulfonyl(propan-2-yl)amino]acetamide
CID 4193810
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
(E)-N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 92519012
(E)-N-benzyl-N-(3-oxopropyl)-3-phenylprop-2-enamide
CID 11077226
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
N-benzyl-N-methyl-3-(5-methylfuran-2-yl)prop-2-enamide
CID 713006
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3548187

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide (CID 42773296) is (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide is Cc1ccc(CN(Cc2ccccc2)C(=O)/C=C/c2ccccc2)o1.
What is the InChIKey of (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide?
The InChIKey is KEFRBWVFSGPMKT-FYWRMAATSA-N. The full InChI is InChI=1S/C22H21NO2/c1-18-12-14-21(25-18)17-23(16-20-10-6-3-7-11-20)22(24)15-13-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3/b15-13+.
What are the key properties of (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide?
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 42773296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).