(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

C18H24N4O4 — CID 108863060

IUPAC(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H24N4O4/c1-24-15-3-4-16(17(11-15)25-2)21-13-14(12-19)18(23)20-5-6-22-7-9-26-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b14-13-
InChIKeyVOLXLXOZDSCYMA-YPKPFQOOSA-N
MW360.41 g/mol
LogP0.97
Rot. Bonds8

About (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108863060) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108863060
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCOc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C18H24N4O4/c1-24-15-3-4-16(17(11-15)25-2)21-13-14(12-19)18(23)20-5-6-22-7-9-26-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b14-13-
InChIKeyVOLXLXOZDSCYMA-YPKPFQOOSA-N
XLogP0.97
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
3-[[(Z)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enoyl]amino]propanoic acid
CID 108817716
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-N-(3-butoxypropyl)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enamide
CID 108837064
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(3-ethoxypropyl)prop-2-enamide
CID 108834093
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108836269
(Z)-2-cyano-3-(4-methoxyanilino)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863685
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108863060) is (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is COc1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)c(OC)c1.
What is the InChIKey of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is VOLXLXOZDSCYMA-YPKPFQOOSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-24-15-3-4-16(17(11-15)25-2)21-13-14(12-19)18(23)20-5-6-22-7-9-26-10-8-22/h3-4,11,13,21H,5-10H2,1-2H3,(H,20,23)/b14-13-.
What are the key properties of (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 360.41 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108863060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).