N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide

C22H21NO2 — CID 772554

IUPACN-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H21NO2/c24-22(14-13-19-8-3-1-4-9-19)23(18-21-12-7-17-25-21)16-15-20-10-5-2-6-11-20/h1-14,17H,15-16,18H2
InChIKeyUGKKQJXFPUFCPZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide

N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 772554) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID772554
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(C=Cc1ccccc1)N(CCc1ccccc1)Cc1ccco1
InChIInChI=1S/C22H21NO2/c24-22(14-13-19-8-3-1-4-9-19)23(18-21-12-7-17-25-21)16-15-20-10-5-2-6-11-20/h1-14,17H,15-16,18H2
InChIKeyUGKKQJXFPUFCPZ-UHFFFAOYSA-N
XLogP4.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
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-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 4580452
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
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
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
N-tert-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 5123104
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 6012187
N-(furan-2-ylmethyl)-2-phenyl-N-(2-phenylethyl)ethenesulfonamide
CID 1058730
(E)-N-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6281279
N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide (CID 772554) is N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide is O=C(C=Cc1ccccc1)N(CCc1ccccc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is UGKKQJXFPUFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(14-13-19-8-3-1-4-9-19)23(18-21-12-7-17-25-21)16-15-20-10-5-2-6-11-20/h1-14,17H,15-16,18H2.
What are the key properties of N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 772554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).