(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide

C20H29N5O2 — CID 108863132

IUPAC(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C20H29N5O2/c1-3-25(4-2)19-7-5-18(6-8-19)23-16-17(15-21)20(26)22-9-10-24-11-13-27-14-12-24/h5-8,16,23H,3-4,9-14H2,1-2H3,(H,22,26)/b17-16-
InChIKeyMDXVQEOXSFKCJS-MSUUIHNZSA-N
MW371.49 g/mol
LogP1.80
Rot. Bonds9

About (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108863132) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108863132
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C20H29N5O2/c1-3-25(4-2)19-7-5-18(6-8-19)23-16-17(15-21)20(26)22-9-10-24-11-13-27-14-12-24/h5-8,16,23H,3-4,9-14H2,1-2H3,(H,22,26)/b17-16-
InChIKeyMDXVQEOXSFKCJS-MSUUIHNZSA-N
XLogP1.80
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815564
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882
(Z)-N-(3-chloropropyl)-2-cyano-3-[4-(diethylamino)anilino]prop-2-enamide
CID 108854229
(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863067
(Z)-3-(N-acetyl-4-aminoanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862891
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839374
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pentylamino)prop-2-enamide
CID 108863041

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108863132) is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide is CCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is MDXVQEOXSFKCJS-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-25(4-2)19-7-5-18(6-8-19)23-16-17(15-21)20(26)22-9-10-24-11-13-27-14-12-24/h5-8,16,23H,3-4,9-14H2,1-2H3,(H,22,26)/b17-16-.
What are the key properties of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 371.49 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108863132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).