(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide

C22H21NO2 — CID 18830821

IUPAC(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C22H21NO2/c1-18-9-11-19(12-10-18)13-14-22(24)23(17-21-8-5-15-25-21)16-20-6-3-2-4-7-20/h2-15H,16-17H2,1H3/b14-13+
InChIKeyFFBYBVLLUHJCNK-BUHFOSPRSA-N
MW331.42 g/mol
LogP4.83
Rot. Bonds6

About (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 18830821) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID18830821
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C22H21NO2/c1-18-9-11-19(12-10-18)13-14-22(24)23(17-21-8-5-15-25-21)16-20-6-3-2-4-7-20/h2-15H,16-17H2,1H3/b14-13+
InChIKeyFFBYBVLLUHJCNK-BUHFOSPRSA-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

N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
(E)-N-benzyl-3-(3-chloro-4,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 34907243
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4580452
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830822
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4058706
methyl 4-[3-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]-3-oxoprop-1-enyl]benzoate
CID 76857234
3-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908318

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide (CID 18830821) is (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is FFBYBVLLUHJCNK-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H21NO2/c1-18-9-11-19(12-10-18)13-14-22(24)23(17-21-8-5-15-25-21)16-20-6-3-2-4-7-20/h2-15H,16-17H2,1H3/b14-13+.
What are the key properties of (E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-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-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 18830821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).