(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C19H20N2O2 — CID 27493123

IUPAC(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O2/c1-12-5-6-13(2)18(9-12)15(4)21-19(22)16(11-20)10-17-8-7-14(3)23-17/h5-10,15H,1-4H3,(H,21,22)/b16-10-/t15-/m1/s1
InChIKeyLYTYYVWLGQHYHE-CCAPLTMGSA-N
MW308.38 g/mol
LogP3.99
Rot. Bonds4

About (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide

(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 27493123) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID27493123
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(C)o2)c1
InChIInChI=1S/C19H20N2O2/c1-12-5-6-13(2)18(9-12)15(4)21-19(22)16(11-20)10-17-8-7-14(3)23-17/h5-10,15H,1-4H3,(H,21,22)/b16-10-/t15-/m1/s1
InChIKeyLYTYYVWLGQHYHE-CCAPLTMGSA-N
XLogP3.99
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17373303
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901
(E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 27518680
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
propan-2-yl (E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoate
CID 679324
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420
(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 27493123) is (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(C)o2)c1.
What is the InChIKey of (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is LYTYYVWLGQHYHE-CCAPLTMGSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-5-6-13(2)18(9-12)15(4)21-19(22)16(11-20)10-17-8-7-14(3)23-17/h5-10,15H,1-4H3,(H,21,22)/b16-10-/t15-/m1/s1.
What are the key properties of (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 308.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 27493123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).