(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide

C14H24N4O2 — CID 660010

IUPAC(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide
SMILESC/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C
InChIInChI=1S/C14H24N4O2/c1-12(17(2)3)13(11-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h4-10H2,1-3H3,(H,16,19)/b13-12-
InChIKeySHPVAPAZMKFMLL-SEYXRHQNSA-N
MW280.37 g/mol
LogP0.18
Rot. Bonds6

About (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide

(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide (PubChem CID 660010) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide
PubChem CID660010
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide
SMILESC/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C
InChIInChI=1S/C14H24N4O2/c1-12(17(2)3)13(11-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h4-10H2,1-3H3,(H,16,19)/b13-12-
InChIKeySHPVAPAZMKFMLL-SEYXRHQNSA-N
XLogP0.18
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.18
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

2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
3-(4-tert-butylphenyl)-2-cyano-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 3319779
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide (CID 660010) is (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide is C/C(=C(\C#N)C(=O)NCCCN1CCOCC1)N(C)C.
What is the InChIKey of (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide?
The InChIKey is SHPVAPAZMKFMLL-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-12(17(2)3)13(11-15)14(19)16-5-4-6-18-7-9-20-10-8-18/h4-10H2,1-3H3,(H,16,19)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide?
(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide is sourced from PubChem (CID 660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).