(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide

C19H26N4O2 — CID 108862908

IUPAC(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccccc1N/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17-5-3-4-6-18(17)22-14-16(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h3-6,14-15,22H,7-12H2,1-2H3,(H,21,24)/b16-14-
InChIKeyMVXQWZAJQMTDNA-PEZBUJJGSA-N
MW342.44 g/mol
LogP2.08
Rot. Bonds7

About (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide

(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide (PubChem CID 108862908) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
PubChem CID108862908
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccccc1N/C=C(/C#N)C(=O)NCCN1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-15(2)17-5-3-4-6-18(17)22-14-16(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h3-6,14-15,22H,7-12H2,1-2H3,(H,21,24)/b16-14-
InChIKeyMVXQWZAJQMTDNA-PEZBUJJGSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-cyano-3-(2,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862997
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
CID 108820360
2-[[(Z)-2-cyano-3-(2-propan-2-ylanilino)prop-2-enoyl]amino]acetic acid
CID 108843944
(Z)-2-cyano-3-(2-ethyl-6-methylanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862978
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863060
(Z)-2-cyano-3-(3-methylbutylamino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863182
(Z)-N-butan-2-yl-2-cyano-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108834314
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)prop-2-enamide
CID 108839999
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835157
(Z)-2-cyano-3-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863132
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108863096
(Z)-2-cyano-3-(3,4-dimethoxyanilino)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862882

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide (CID 108862908) is (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide is CC(C)c1ccccc1N/C=C(/C#N)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The InChIKey is MVXQWZAJQMTDNA-PEZBUJJGSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(2)17-5-3-4-6-18(17)22-14-16(13-20)19(24)21-7-8-23-9-11-25-12-10-23/h3-6,14-15,22H,7-12H2,1-2H3,(H,21,24)/b16-14-.
What are the key properties of (Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide has a molecular weight of 342.44 g/mol, XLogP of 2.08, 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-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide is sourced from PubChem (CID 108862908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).