(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide

C19H26N4O2 — CID 108857472

IUPAC(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C\NCCCN2CCOCC2)c1C
InChIInChI=1S/C19H26N4O2/c1-15-5-3-6-18(16(15)2)22-19(24)17(13-20)14-21-7-4-8-23-9-11-25-12-10-23/h3,5-6,14,21H,4,7-12H2,1-2H3,(H,22,24)/b17-14-
InChIKeyQUAJBPKIZPUNDT-VKAVYKQESA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds7

About (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide

(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide (PubChem CID 108857472) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide
PubChem CID108857472
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide
SMILESCc1cccc(NC(=O)/C(C#N)=C\NCCCN2CCOCC2)c1C
InChIInChI=1S/C19H26N4O2/c1-15-5-3-6-18(16(15)2)22-19(24)17(13-20)14-21-7-4-8-23-9-11-25-12-10-23/h3,5-6,14,21H,4,7-12H2,1-2H3,(H,22,24)/b17-14-
InChIKeyQUAJBPKIZPUNDT-VKAVYKQESA-N
XLogP1.96
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-N-(2,3-dimethylphenyl)-3-[2-(2-hydroxyethoxy)ethylamino]prop-2-enamide
CID 108857518
(Z)-2-cyano-N-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108817294
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(2-phenylethylamino)prop-2-enamide
CID 108857390
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 124656174
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-(3-morpholin-4-ylpropylamino)prop-2-enamide
CID 108839633
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(furan-2-ylmethylamino)prop-2-enamide
CID 108857466
(Z)-2-cyano-3-(5-hydroxypentylamino)-N-(2-methylphenyl)prop-2-enamide
CID 108821462
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108857550
(Z)-2-(4-benzylpiperazine-1-carbonyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enenitrile
CID 108861526
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(3-nitrophenyl)prop-2-enamide
CID 108853362

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide (CID 108857472) is (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide is Cc1cccc(NC(=O)/C(C#N)=C\NCCCN2CCOCC2)c1C.
What is the InChIKey of (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide?
The InChIKey is QUAJBPKIZPUNDT-VKAVYKQESA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-5-3-6-18(16(15)2)22-19(24)17(13-20)14-21-7-4-8-23-9-11-25-12-10-23/h3,5-6,14,21H,4,7-12H2,1-2H3,(H,22,24)/b17-14-.
What are the key properties of (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide?
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)prop-2-enamide is sourced from PubChem (CID 108857472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).