(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide

C19H26N4O2 — CID 108839374

IUPAC(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-23(4-2)17-9-7-16(8-10-17)21-13-15(12-20)19(24)22-14-18-6-5-11-25-18/h7-10,13,18,21H,3-6,11,14H2,1-2H3,(H,22,24)/b15-13-
InChIKeyBPCHBLOSBDBTFB-SQFISAMPSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds8

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

(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 108839374) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID108839374
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESCCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H26N4O2/c1-3-23(4-2)17-9-7-16(8-10-17)21-13-15(12-20)19(24)22-14-18-6-5-11-25-18/h7-10,13,18,21H,3-6,11,14H2,1-2H3,(H,22,24)/b15-13-
InChIKeyBPCHBLOSBDBTFB-SQFISAMPSA-N
XLogP2.65
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839223
(Z)-3-(4-anilinoanilino)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839316
methyl 3-[[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]amino]benzoate
CID 108839451
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108839275
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(oxolan-2-ylmethylamino)prop-2-enamide
CID 108818415
(Z)-3-(2-butan-2-ylanilino)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839432
(Z)-N-(3-chloropropyl)-2-cyano-3-[4-(diethylamino)anilino]prop-2-enamide
CID 108854229
(Z)-2-cyano-3-(cyclopentylamino)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839179
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(pentylamino)prop-2-enamide
CID 108839283
(Z)-2-cyano-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylprop-2-enamide
CID 2369962
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 108839374) is (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide is CCN(CC)c1ccc(N/C=C(/C#N)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is BPCHBLOSBDBTFB-SQFISAMPSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-23(4-2)17-9-7-16(8-10-17)21-13-15(12-20)19(24)22-14-18-6-5-11-25-18/h7-10,13,18,21H,3-6,11,14H2,1-2H3,(H,22,24)/b15-13-.
What are the key properties of (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108839374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).