N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C21H19NO2 — CID 71904712

IUPACN-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)o1
InChIInChI=1S/C21H19NO2/c1-16-11-12-19(24-16)13-14-21(23)22-20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyOIZZICYQFKFTNO-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.83
Rot. Bonds5

About N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide

N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 71904712) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID71904712
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)o1
InChIInChI=1S/C21H19NO2/c1-16-11-12-19(24-16)13-14-21(23)22-20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyOIZZICYQFKFTNO-UHFFFAOYSA-N
XLogP4.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.83
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

(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(5-methylfuran-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 897086
N-(2-chloro-3-pyridinyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4988689
N-(2-benzylphenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 3394107
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78810129
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
(E)-3-(5-methylfuran-2-yl)-N-quinolin-5-ylprop-2-enamide
CID 874993
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
benzyl 2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]acetate
CID 26878355
(E)-N-[2-(dimethylamino)-3-pyridinyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47234593
3-(5-methylfuran-2-yl)-N-quinolin-8-ylprop-2-enamide
CID 721179
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 71904712) is N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C=CC(=O)Nc2ccccc2Cc2ccccc2)o1.
What is the InChIKey of N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is OIZZICYQFKFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16-11-12-19(24-16)13-14-21(23)22-20-10-6-5-9-18(20)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 71904712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).