(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide

C15H25N3O3 — CID 108836963

IUPAC(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
SMILESCCCCOCCCNC(=O)/C(C#N)=C\N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-3-8-20-9-4-5-17-15(19)14(12-16)13-18-6-10-21-11-7-18/h13H,2-11H2,1H3,(H,17,19)/b14-13-
InChIKeyXVOZLKDVKHUNEJ-YPKPFQOOSA-N
MW295.38 g/mol
LogP1.05
Rot. Bonds9

About (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide

(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide (PubChem CID 108836963) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
PubChem CID108836963
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide
SMILESCCCCOCCCNC(=O)/C(C#N)=C\N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-3-8-20-9-4-5-17-15(19)14(12-16)13-18-6-10-21-11-7-18/h13H,2-11H2,1H3,(H,17,19)/b14-13-
InChIKeyXVOZLKDVKHUNEJ-YPKPFQOOSA-N
XLogP1.05
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-butoxypropyl)-2-cyano-3-piperazin-1-ylprop-2-enamide
CID 108836899
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765
methyl 4-[(Z)-3-(3-butoxypropylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108837252
(Z)-N-(3-butoxypropyl)-2-cyano-3-(4-methylsulfonylpiperazin-1-yl)prop-2-enamide
CID 108837249
(Z)-N-butyl-2-cyano-3-pyrrolidin-1-ylprop-2-enamide
CID 108833701
(Z)-N-(3-butoxypropyl)-2-cyano-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]prop-2-enamide
CID 108837251
(Z)-2-cyano-N-(3-ethoxypropyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108834207
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-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862927
(Z)-2-cyano-3-morpholin-4-yl-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 108863767
tert-butyl 4-[(Z)-3-(butylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108833913

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide?
The IUPAC name of (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide (CID 108836963) is (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide is CCCCOCCCNC(=O)/C(C#N)=C\N1CCOCC1.
What is the InChIKey of (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide?
The InChIKey is XVOZLKDVKHUNEJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-3-8-20-9-4-5-17-15(19)14(12-16)13-18-6-10-21-11-7-18/h13H,2-11H2,1H3,(H,17,19)/b14-13-.
What are the key properties of (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide?
(Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-butoxypropyl)-2-cyano-3-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 108836963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).