(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide

C15H17N3O2 — CID 7824488

IUPAC(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-15(19)13(11-16)10-12-2-4-14(5-3-12)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,17,19)/b13-10+
InChIKeyMWTMSKNMSFQMOP-JLHYYAGUSA-N
MW271.32 g/mol
LogP1.18
Rot. Bonds3

About (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 7824488) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID7824488
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H17N3O2/c1-17-15(19)13(11-16)10-12-2-4-14(5-3-12)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,17,19)/b13-10+
InChIKeyMWTMSKNMSFQMOP-JLHYYAGUSA-N
XLogP1.18
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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-methyl-3-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 26477461
butan-1-ol;(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide;ethane;propane
CID 145041551
(E)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-propan-2-ylprop-2-enamide
CID 7939296
(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 51109586
(E)-N-(4-chlorophenyl)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 2387031
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
(E)-2-cyano-N-(3-methoxypropyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 7939516
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 124656174
(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 2121496
ethyl (E)-2-cyano-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 764048
(Z)-2-cyano-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 2414857
(E)-2-cyano-N-(2-hydroxybutyl)-3-(6-morpholin-4-ylnaphthalen-2-yl)prop-2-enamide
CID 122682464

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 7824488) is (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide is CNC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is MWTMSKNMSFQMOP-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-15(19)13(11-16)10-12-2-4-14(5-3-12)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,17,19)/b13-10+.
What are the key properties of (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-methyl-3-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 7824488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).