2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide

C14H26N2O2 — CID 123810381

IUPAC2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCCCCN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)13(3)14(17)15-6-4-5-7-16-8-10-18-11-9-16/h4-11H2,1-3H3,(H,15,17)
InChIKeyQSXZNHDKHORLEL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds6

About 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide

2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide (PubChem CID 123810381) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
PubChem CID123810381
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
SMILESCC(C)=C(C)C(=O)NCCCCN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)13(3)14(17)15-6-4-5-7-16-8-10-18-11-9-16/h4-11H2,1-3H3,(H,15,17)
InChIKeyQSXZNHDKHORLEL-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
(Z)-2-cyano-3-(dimethylamino)-N-(3-morpholin-4-ylpropyl)but-2-enamide
CID 660010
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide?
The IUPAC name of 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide (CID 123810381) is 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide?
The canonical SMILES for 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide is CC(C)=C(C)C(=O)NCCCCN1CCOCC1.
What is the InChIKey of 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide?
The InChIKey is QSXZNHDKHORLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)13(3)14(17)15-6-4-5-7-16-8-10-18-11-9-16/h4-11H2,1-3H3,(H,15,17).
What are the key properties of 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide?
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide is sourced from PubChem (CID 123810381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).