(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide

C22H25N3O2 — CID 108849256

IUPAC(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1cc(C)ccc1OC
InChIInChI=1S/C22H25N3O2/c1-5-16-8-7-9-17(6-2)21(16)25-22(26)18(13-23)14-24-19-12-15(3)10-11-20(19)27-4/h7-12,14,24H,5-6H2,1-4H3,(H,25,26)/b18-14-
InChIKeyDVGUPNLNTYQYES-JXAWBTAJSA-N
MW363.46 g/mol
LogP4.59
Rot. Bonds7

About (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide

(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide (PubChem CID 108849256) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
PubChem CID108849256
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
SMILESCCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1cc(C)ccc1OC
InChIInChI=1S/C22H25N3O2/c1-5-16-8-7-9-17(6-2)21(16)25-22(26)18(13-23)14-24-19-12-15(3)10-11-20(19)27-4/h7-12,14,24H,5-6H2,1-4H3,(H,25,26)/b18-14-
InChIKeyDVGUPNLNTYQYES-JXAWBTAJSA-N
XLogP4.59
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
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'}

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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)-3-(2-bromo-4-methylanilino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850936
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenyl)methylamino]prop-2-enamide
CID 108858352
(Z)-2-cyano-3-(4-hydroxy-2-methylanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858158
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108849176
(Z)-2-cyano-N-(2-methoxy-5-methylphenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108858108
(Z)-3-(5-chloro-2-methoxyanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858489
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide
CID 108834031
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-methoxyphenyl)prop-2-enamide
CID 108821009
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858262
(Z)-2-cyano-N-(2,5-dimethoxyphenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 108850428

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide (CID 108849256) is (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide is CCc1cccc(CC)c1NC(=O)/C(C#N)=C\Nc1cc(C)ccc1OC.
What is the InChIKey of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide?
The InChIKey is DVGUPNLNTYQYES-JXAWBTAJSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-16-8-7-9-17(6-2)21(16)25-22(26)18(13-23)14-24-19-12-15(3)10-11-20(19)27-4/h7-12,14,24H,5-6H2,1-4H3,(H,25,26)/b18-14-.
What are the key properties of (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide has a molecular weight of 363.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxy-5-methylanilino)prop-2-enamide is sourced from PubChem (CID 108849256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).