(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide

C14H24N2O2 — CID 110461229

IUPAC(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(C)CN1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-14(17)15-11-13(2)12-16-7-9-18-10-8-16/h3-6,13H,7-12H2,1-2H3,(H,15,17)/b4-3+,6-5+
InChIKeyFHMWJDCAIPZDNL-VNKDHWASSA-N
MW252.36 g/mol
LogP1.20
Rot. Bonds6

About (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide

(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide (PubChem CID 110461229) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide
PubChem CID110461229
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(C)CN1CCOCC1
InChIInChI=1S/C14H24N2O2/c1-3-4-5-6-14(17)15-11-13(2)12-16-7-9-18-10-8-16/h3-6,13H,7-12H2,1-2H3,(H,15,17)/b4-3+,6-5+
InChIKeyFHMWJDCAIPZDNL-VNKDHWASSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
CID 134053198
(E)-3-(1,3-benzoxazol-2-yl)-N-[(2S)-2-methyl-3-morpholin-4-ylpropyl]prop-2-enamide
CID 95981089
2-methyl-1-(2-methyl-3-morpholin-4-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111835613
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
4-(dimethylamino)-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444459
(3S)-3-benzyl-N-[(2R)-2-methyl-3-morpholin-4-ylpropyl]pyrrolidine-1-carboxamide
CID 95945322
N-butan-2-yl-2-methyl-3-morpholin-4-ylpropan-1-amine
CID 115722394
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
N-(2-methyl-3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 110444324
N-(2-methyl-3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 110462388
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide (CID 110461229) is (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC(C)CN1CCOCC1.
What is the InChIKey of (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide?
The InChIKey is FHMWJDCAIPZDNL-VNKDHWASSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-6-14(17)15-11-13(2)12-16-7-9-18-10-8-16/h3-6,13H,7-12H2,1-2H3,(H,15,17)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide?
(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide has a molecular weight of 252.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide is sourced from PubChem (CID 110461229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).