(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

C21H19NO2 — CID 881454

IUPAC(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15-8-6-9-16(2)20(15)22-21(23)19(14-18-12-7-13-24-18)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,23)/b19-14+
InChIKeyDKSVQABJXVUXBF-XMHGGMMESA-N
MW317.39 g/mol
LogP5.08
Rot. Bonds4

About (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide

(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (PubChem CID 881454) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
PubChem CID881454
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide
SMILESCc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1
InChIInChI=1S/C21H19NO2/c1-15-8-6-9-16(2)20(15)22-21(23)19(14-18-12-7-13-24-18)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,23)/b19-14+
InChIKeyDKSVQABJXVUXBF-XMHGGMMESA-N
XLogP5.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.08
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
4-(2-furyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 21716122
Benzamide, N-(2,6-dimethylphenyl)-4-methoxy-
CID 178983
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-(4-Benzofuran-4-ylmethyl-phenyl)-butyramide
CID 44264909
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-{3-[(2-methylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 1262944
N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2865500
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide (CID 881454) is (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is Cc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1.
What is the InChIKey of (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
The InChIKey is DKSVQABJXVUXBF-XMHGGMMESA-N. The full InChI is InChI=1S/C21H19NO2/c1-15-8-6-9-16(2)20(15)22-21(23)19(14-18-12-7-13-24-18)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,23)/b19-14+.
What are the key properties of (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide?
(E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dimethylphenyl)-3-(furan-2-yl)-2-phenylprop-2-enamide is sourced from PubChem (CID 881454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).