(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide

C14H26N2O2 — CID 21060382

IUPAC(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)6-5-13(17)15-7-4-8-16-9-11-18-12-10-16/h5-6H,4,7-12H2,1-3H3,(H,15,17)/b6-5+
InChIKeyDUJIPRDFRURSNW-AATRIKPKSA-N
MW254.37 g/mol
LogP1.43
Rot. Bonds5

About (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide

(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide (PubChem CID 21060382) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
PubChem CID21060382
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)6-5-13(17)15-7-4-8-16-9-11-18-12-10-16/h5-6H,4,7-12H2,1-3H3,(H,15,17)/b6-5+
InChIKeyDUJIPRDFRURSNW-AATRIKPKSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.43
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

(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 74239871
(Z)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)pent-2-enamide
CID 51080936
N-(3-Morpholinopropyl)acrylamide
CID 11735756
(E)-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylpent-2-en-1-one
CID 21060133
(E)-4,4-dimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 21060374
(E)-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
CID 21060447
N'-(3-morpholin-4-ylpropyl)but-2-enediamide
CID 53959577
(E)-4-methyl-4-morpholin-4-ylpent-2-enamide
CID 55266011
5-Morpholin-4-ylpent-2-enamide
CID 57903941
(Z)-N-[2-[2-[[(E)-but-2-enoyl]amino]ethoxy]ethyl]hex-3-enamide
CID 58348975
CID 58998222
CID 58998222

Frequently Asked Questions

What is the IUPAC name of (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The IUPAC name of (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide (CID 21060382) is (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide.
What is the SMILES notation for (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The canonical SMILES for (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide is CC(C)(C)/C=C/C(=O)NCCCN1CCOCC1.
What is the InChIKey of (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
The InChIKey is DUJIPRDFRURSNW-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)6-5-13(17)15-7-4-8-16-9-11-18-12-10-16/h5-6H,4,7-12H2,1-3H3,(H,15,17)/b6-5+.
What are the key properties of (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide?
(E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide has a molecular weight of 254.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4-dimethyl-N-(3-morpholin-4-ylpropyl)pent-2-enamide is sourced from PubChem (CID 21060382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).