(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide

C22H21NO2 — CID 2430757

IUPAC(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21NO2/c1-15-12-16(2)21(17(3)13-15)23-22(24)20(14-19-10-7-11-25-19)18-8-5-4-6-9-18/h4-14H,1-3H3,(H,23,24)/b20-14+
InChIKeyNFTMJFVQRCCGKC-XSFVSMFZSA-N
MW331.41 g/mol
LogP5.38
Rot. Bonds4

About (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide

(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 2430757) has the molecular formula C22H21NO2 and a molecular weight of 331.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID2430757
Molecular FormulaC22H21NO2
Molecular Weight331.41 g/mol
Exact Mass331.16
IUPAC Name(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1
InChIInChI=1S/C22H21NO2/c1-15-12-16(2)21(17(3)13-15)23-22(24)20(14-19-10-7-11-25-19)18-8-5-4-6-9-18/h4-14H,1-3H3,(H,23,24)/b20-14+
InChIKeyNFTMJFVQRCCGKC-XSFVSMFZSA-N
XLogP5.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-2-methyl-5-oxo-N-(o-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 11646235
4-[(4-Amino-3,5-dimethylphenyl)(2-furyl)methyl]-2,6-dimethylaniline
CID 2841012
Benzamide, N-(2,6-dimethylphenyl)-4-methoxy-
CID 178983
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-{4-[(2-biphenylylamino)carbonyl]phenyl}-2-furamide
CID 1316336
N-(4-Benzofuran-4-ylmethyl-phenyl)-butyramide
CID 44264909
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
N-{4-[3-(2-furyl)-3-oxo-1-propen-1-yl]phenyl}-2,2-dimethylpropanamide
CID 5730576
N-(3,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 6489243
2-methyl-N-(2,4,6-trimethylphenyl)-3-furancarboxamide
CID 897458
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 2430757) is (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide is Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is NFTMJFVQRCCGKC-XSFVSMFZSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-12-16(2)21(17(3)13-15)23-22(24)20(14-19-10-7-11-25-19)18-8-5-4-6-9-18/h4-14H,1-3H3,(H,23,24)/b20-14+.
What are the key properties of (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 331.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-2-phenyl-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 2430757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).