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

C16H28N2O2 — CID 134053198

IUPAC(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-16(19)17-13-15(12-14(2)3)18-8-10-20-11-9-18/h4-7,14-15H,8-13H2,1-3H3,(H,17,19)/b5-4+,7-6+
InChIKeyFVYUMWHMXNPPPJ-YTXTXJHMSA-N
MW280.41 g/mol
LogP1.98
Rot. Bonds7

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

(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide (PubChem CID 134053198) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
PubChem CID134053198
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)NCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C16H28N2O2/c1-4-5-6-7-16(19)17-13-15(12-14(2)3)18-8-10-20-11-9-18/h4-7,14-15H,8-13H2,1-3H3,(H,17,19)/b5-4+,7-6+
InChIKeyFVYUMWHMXNPPPJ-YTXTXJHMSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.98
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

N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
(2E,4E)-N-(2-methyl-3-morpholin-4-ylpropyl)hexa-2,4-dienamide
CID 110461229
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
tert-butyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 63787814
5-amino-N-(4-methyl-2-morpholin-4-ylpentyl)hexanamide
CID 82849469
2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
(2R)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)pentanamide
CID 103813493
2-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 65229319
2-[(4-methyl-2-morpholin-4-ylpentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940730

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide (CID 134053198) is (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)NCC(CC(C)C)N1CCOCC1.
What is the InChIKey of (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide?
The InChIKey is FVYUMWHMXNPPPJ-YTXTXJHMSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-6-7-16(19)17-13-15(12-14(2)3)18-8-10-20-11-9-18/h4-7,14-15H,8-13H2,1-3H3,(H,17,19)/b5-4+,7-6+.
What are the key properties of (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide?
(2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide has a molecular weight of 280.41 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-methyl-2-morpholin-4-ylpentyl)hexa-2,4-dienamide is sourced from PubChem (CID 134053198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).