(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide

C13H15N3O2 — CID 108829464

IUPAC(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-9(2)16-13(18)10(7-14)8-15-11-4-3-5-12(17)6-11/h3-6,8-9,15,17H,1-2H3,(H,16,18)/b10-8-
InChIKeyJWMCPQQFWYDGGA-NTMALXAHSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds4

About (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide (PubChem CID 108829464) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide
PubChem CID108829464
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1
InChIInChI=1S/C13H15N3O2/c1-9(2)16-13(18)10(7-14)8-15-11-4-3-5-12(17)6-11/h3-6,8-9,15,17H,1-2H3,(H,16,18)/b10-8-
InChIKeyJWMCPQQFWYDGGA-NTMALXAHSA-N
XLogP1.74
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-tert-butyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108837637
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
(Z)-3-(3-chloroanilino)-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816915
(Z)-2-cyano-3-(4-iodoanilino)-N-propan-2-ylprop-2-enamide
CID 108829739
(Z)-N-benzyl-2-cyano-3-(3-hydroxyanilino)prop-2-enamide
CID 108842100
2-[[(Z)-2-cyano-3-(3-hydroxyanilino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108816873
(Z)-N-butan-2-yl-2-cyano-3-(3-methylanilino)prop-2-enamide
CID 108834405
3-[[(Z)-3-(butan-2-ylamino)-2-cyano-3-oxoprop-1-enyl]amino]benzoic acid
CID 108834291
2-[[(Z)-3-(3-acetamidoanilino)-2-cyanoprop-2-enoyl]amino]propanoic acid
CID 108844868
3-[[(Z)-2-cyano-3-oxo-3-(1-phenylethylamino)prop-1-enyl]amino]benzoic acid
CID 108839873
(Z)-2-cyano-3-(2,5-dimethylanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108817050

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide (CID 108829464) is (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\Nc1cccc(O)c1.
What is the InChIKey of (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide?
The InChIKey is JWMCPQQFWYDGGA-NTMALXAHSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)16-13(18)10(7-14)8-15-11-4-3-5-12(17)6-11/h3-6,8-9,15,17H,1-2H3,(H,16,18)/b10-8-.
What are the key properties of (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide has a molecular weight of 245.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(3-hydroxyanilino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).