(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide

C14H23N3O2 — CID 108833590

IUPAC(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\N1CC(C)OC(C)C1
InChIInChI=1S/C14H23N3O2/c1-4-5-6-16-14(18)13(7-15)10-17-8-11(2)19-12(3)9-17/h10-12H,4-6,8-9H2,1-3H3,(H,16,18)/b13-10-
InChIKeyIBZIFVOSWYZSQF-RAXLEYEMSA-N
MW265.36 g/mol
LogP1.42
Rot. Bonds5

About (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide

(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide (PubChem CID 108833590) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
PubChem CID108833590
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
SMILESCCCCNC(=O)/C(C#N)=C\N1CC(C)OC(C)C1
InChIInChI=1S/C14H23N3O2/c1-4-5-6-16-14(18)13(7-15)10-17-8-11(2)19-12(3)9-17/h10-12H,4-6,8-9H2,1-3H3,(H,16,18)/b13-10-
InChIKeyIBZIFVOSWYZSQF-RAXLEYEMSA-N
XLogP1.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-chloroethyl)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108854394
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108833594
1-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 98429495
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837301
(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108836963
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765
tert-butyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108833913
(Z)-N-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
CID 108836899
(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108840285
(Z)-N-butyl-3-(butylamino)-2-cyanoprop-2-enamide
CID 108833598
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108852902

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide (CID 108833590) is (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide is CCCCNC(=O)/C(C#N)=C\N1CC(C)OC(C)C1.
What is the InChIKey of (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The InChIKey is IBZIFVOSWYZSQF-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-5-6-16-14(18)13(7-15)10-17-8-11(2)19-12(3)9-17/h10-12H,4-6,8-9H2,1-3H3,(H,16,18)/b13-10-.
What are the key properties of (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide is sourced from PubChem (CID 108833590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).