(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide

C22H23N5O3 — CID 108818708

IUPAC(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
SMILESCC(=O)N(C(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C22H23N5O3/c1-16(28)27(19-8-6-18(24)7-9-19)22(29)17(14-23)15-25-20-4-2-3-5-21(20)26-10-12-30-13-11-26/h2-9,15,25H,10-13,24H2,1H3/b17-15-
InChIKeyALHPKGCEPHZIHU-ICFOKQHNSA-N
MW405.46 g/mol
LogP2.50
Rot. Bonds5

About (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide

(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide (PubChem CID 108818708) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
PubChem CID108818708
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
SMILESCC(=O)N(C(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1)c1ccc(N)cc1
InChIInChI=1S/C22H23N5O3/c1-16(28)27(19-8-6-18(24)7-9-19)22(29)17(14-23)15-25-20-4-2-3-5-21(20)26-10-12-30-13-11-26/h2-9,15,25H,10-13,24H2,1H3/b17-15-
InChIKeyALHPKGCEPHZIHU-ICFOKQHNSA-N
XLogP2.50
TPSA111.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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)-N-acetyl-N-(4-aminophenyl)-3-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-cyanoprop-2-enamide
CID 108818578
(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)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
CID 108818802
(Z)-2-cyano-3-(2-morpholin-4-ylanilino)-N-propylprop-2-enamide
CID 108820360
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108823717
(Z)-N-(3-acetylphenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108856802
ethyl 2-[[(Z)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enoyl]amino]benzoate
CID 108827071
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(2-morpholin-4-ylanilino)prop-2-enamide
CID 108827444
N'-acetyl-N'-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526488
(Z)-N-acetyl-N-(4-aminophenyl)-3-(3-chloroanilino)-2-cyanoprop-2-enamide
CID 108818528
butyl 2-[[(Z)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enoyl]amino]benzoate
CID 108856056

Frequently Asked Questions

What is the IUPAC name of (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide (CID 108818708) is (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide is CC(=O)N(C(=O)/C(C#N)=C\Nc1ccccc1N1CCOCC1)c1ccc(N)cc1.
What is the InChIKey of (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
The InChIKey is ALHPKGCEPHZIHU-ICFOKQHNSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-16(28)27(19-8-6-18(24)7-9-19)22(29)17(14-23)15-25-20-4-2-3-5-21(20)26-10-12-30-13-11-26/h2-9,15,25H,10-13,24H2,1H3/b17-15-.
What are the key properties of (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide?
(Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide has a molecular weight of 405.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-acetyl-N-(4-aminophenyl)-2-cyano-3-(2-morpholin-4-ylanilino)prop-2-enamide is sourced from PubChem (CID 108818708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).