(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide

C17H22N4O2 — CID 108820360

IUPAC(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-2-7-19-17(22)14(12-18)13-20-15-5-3-4-6-16(15)21-8-10-23-11-9-21/h3-6,13,20H,2,7-11H2,1H3,(H,19,22)/b14-13-
InChIKeyHPSMHVHPFZPZQJ-YPKPFQOOSA-N
MW314.39 g/mol
LogP1.87
Rot. Bonds6

About (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide

(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide (PubChem CID 108820360) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
PubChem CID108820360
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1
InChIInChI=1S/C17H22N4O2/c1-2-7-19-17(22)14(12-18)13-20-15-5-3-4-6-16(15)21-8-10-23-11-9-21/h3-6,13,20H,2,7-11H2,1H3,(H,19,22)/b14-13-
InChIKeyHPSMHVHPFZPZQJ-YPKPFQOOSA-N
XLogP1.87
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.87
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'}

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Related Compounds

(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propan-2-ylprop-2-enamide
CID 108829670
(Z)-2-cyano-N-(2-hydroxyphenyl)-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108855310
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108827444
ethyl 2-[[(Z)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enoyl]amino]benzoate
CID 108827071
butyl 2-[[(Z)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enoyl]amino]benzoate
CID 108856056
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108856802
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108823717
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-2-cyano-3-(2-ethylanilino)-N-propylprop-2-enamide
CID 108820394
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
(Z)-N-(3-chlorophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108860494
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide (CID 108820360) is (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1.
What is the InChIKey of (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide?
The InChIKey is HPSMHVHPFZPZQJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-7-19-17(22)14(12-18)13-20-15-5-3-4-6-16(15)21-8-10-23-11-9-21/h3-6,13,20H,2,7-11H2,1H3,(H,19,22)/b14-13-.
What are the key properties of (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide?
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide is sourced from PubChem (CID 108820360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).