N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide

C14H25NO4 — CID 123837971

IUPACN-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide
SMILESCCC(=CCOC)C(=CC(C)OC)C(=O)NCCO
InChIInChI=1S/C14H25NO4/c1-5-12(6-9-18-3)13(10-11(2)19-4)14(17)15-7-8-16/h6,10-11,16H,5,7-9H2,1-4H3,(H,15,17)
InChIKeyJLSOEOSUDDIUMM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.04
Rot. Bonds9

About N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide

N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide (PubChem CID 123837971) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide
PubChem CID123837971
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide
SMILESCCC(=CCOC)C(=CC(C)OC)C(=O)NCCO
InChIInChI=1S/C14H25NO4/c1-5-12(6-9-18-3)13(10-11(2)19-4)14(17)15-7-8-16/h6,10-11,16H,5,7-9H2,1-4H3,(H,15,17)
InChIKeyJLSOEOSUDDIUMM-UHFFFAOYSA-N
XLogP1.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ZP-amide B
CID 127027960
(2E,7E,9E)-6-ethoxy-11-hydroxy-N-(2-hydroxy-2-methylpropyl)dodeca-2,7,9-trienamide
CID 127025455
(2E,7E,9E,11R)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxododeca-2,7,9-trienamide
CID 101357060
(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-methoxydodeca-2,7,9-trienamide
CID 11472409
(2E,7E,9E,11S)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxododeca-2,7,9-trienamide
CID 101357061
(2E,7E,9E)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-methoxydodeca-2,7,9-trienamide
CID 140080258
(2E,7E,9E)-N-(2-hydroxy-2-methylpropyl)-11-methoxy-6-oxododeca-2,7,9-trienamide
CID 141756687
(2E,7E,9E)-N-(2-hydroxy-2-methylpropyl)-6,11-dimethoxydodeca-2,7,9-trienamide
CID 141756689
(2E,7E,9E)-N-(2-hydroxy-2-methylpropyl)-6-methoxy-11-oxododeca-2,7,9-trienamide
CID 141756690
ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane
CID 143912649
2-[(4-Methylcyclohexa-1,3-diene-1-carbonyl)amino]ethyloxidanium
CID 145274595
11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxododeca-2,7,9-trienamide
CID 162917848

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide (CID 123837971) is N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide is CCC(=CCOC)C(=CC(C)OC)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide?
The InChIKey is JLSOEOSUDDIUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-12(6-9-18-3)13(10-11(2)19-4)14(17)15-7-8-16/h6,10-11,16H,5,7-9H2,1-4H3,(H,15,17).
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide?
N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide has a molecular weight of 271.36 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-2-(1-methoxypent-2-en-3-yl)pent-2-enamide is sourced from PubChem (CID 123837971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).