(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

C15H19N3O2 — CID 108827455

IUPAC(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H19N3O2/c1-3-4-9-18(2)11-12(10-16)15(20)17-13-5-7-14(19)8-6-13/h5-8,11,19H,3-4,9H2,1-2H3,(H,17,20)/b12-11-
InChIKeyKKXOIHOTSXWDOO-QXMHVHEDSA-N
MW273.34 g/mol
LogP2.47
Rot. Bonds6

About (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 108827455) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID108827455
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
SMILESCCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C15H19N3O2/c1-3-4-9-18(2)11-12(10-16)15(20)17-13-5-7-14(19)8-6-13/h5-8,11,19H,3-4,9H2,1-2H3,(H,17,20)/b12-11-
InChIKeyKKXOIHOTSXWDOO-QXMHVHEDSA-N
XLogP2.47
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-bromophenyl)-3-[butyl(methyl)amino]-2-cyanoprop-2-enamide
CID 108815898
(Z)-3-[butyl(methyl)amino]-N-(4-butylphenyl)-2-cyanoprop-2-enamide
CID 108828201
(Z)-3-[butyl(methyl)amino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860505
4-[[(Z)-2-cyano-3-(dibutylamino)prop-2-enoyl]amino]benzoic acid
CID 108823316
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828936
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850855
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108851968
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide (CID 108827455) is (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is CCCCN(C)/C=C(/C#N)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KKXOIHOTSXWDOO-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-4-9-18(2)11-12(10-16)15(20)17-13-5-7-14(19)8-6-13/h5-8,11,19H,3-4,9H2,1-2H3,(H,17,20)/b12-11-.
What are the key properties of (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 273.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108827455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).