(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide

C19H19N3O4 — CID 108850428

IUPAC(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cc(C)ccc2O)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-6-17(23)15(8-12)21-11-13(10-20)19(24)22-16-9-14(25-2)5-7-18(16)26-3/h4-9,11,21,23H,1-3H3,(H,22,24)/b13-11-
InChIKeyILQQNKFXTFCXNJ-QBFSEMIESA-N
MW353.38 g/mol
LogP3.18
Rot. Bonds6

About (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide

(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide (PubChem CID 108850428) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
PubChem CID108850428
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
SMILESCOc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cc(C)ccc2O)c1
InChIInChI=1S/C19H19N3O4/c1-12-4-6-17(23)15(8-12)21-11-13(10-20)19(24)22-16-9-14(25-2)5-7-18(16)26-3/h4-9,11,21,23H,1-3H3,(H,22,24)/b13-11-
InChIKeyILQQNKFXTFCXNJ-QBFSEMIESA-N
XLogP3.18
TPSA103.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858177
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858157
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858158
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857887
(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828446
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858262
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108858108
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108858399
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(2,5-dimethoxyanilino)prop-2-enamide
CID 108818475
(Z)-2-cyano-3-(2,6-dichloroanilino)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108850548
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108858097
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(2,4-dimethylanilino)prop-2-enamide
CID 108827720

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide (CID 108850428) is (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide is COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cc(C)ccc2O)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
The InChIKey is ILQQNKFXTFCXNJ-QBFSEMIESA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-4-6-17(23)15(8-12)21-11-13(10-20)19(24)22-16-9-14(25-2)5-7-18(16)26-3/h4-9,11,21,23H,1-3H3,(H,22,24)/b13-11-.
What are the key properties of (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide is sourced from PubChem (CID 108850428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).