(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide

C14H16N2O — CID 903040

IUPAC(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)12-6-4-11(5-7-12)8-13(9-15)14(17)16-3/h4-8,10H,1-3H3,(H,16,17)/b13-8-
InChIKeyUKNIEZHNBFBPLV-JYRVWZFOSA-N
MW228.29 g/mol
LogP2.46
Rot. Bonds3

About (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide

(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 903040) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID903040
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)12-6-4-11(5-7-12)8-13(9-15)14(17)16-3/h4-8,10H,1-3H3,(H,16,17)/b13-8-
InChIKeyUKNIEZHNBFBPLV-JYRVWZFOSA-N
XLogP2.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-2-cyano-N,3-bis(4-propan-2-ylphenyl)prop-2-enamide
CID 730579
(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 2461727
(E)-N-butyl-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7745635
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
(Z)-2-cyano-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 19183442
2-cyano-N-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4983165
N-(2-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3965385
(Z)-2-cyano-N-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92896782
2-cyano-3-(4-propan-2-ylphenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 2790450
N-(3-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2790438
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2405063

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 903040) is (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide is CNC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is UKNIEZHNBFBPLV-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)12-6-4-11(5-7-12)8-13(9-15)14(17)16-3/h4-8,10H,1-3H3,(H,16,17)/b13-8-.
What are the key properties of (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide?
(Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 228.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-methyl-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 903040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).