N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide

C14H27N3O2 — CID 89061387

IUPACN-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide
SMILESCC(C)=C=C(C)CNC(=O)CCNCCNCCO
InChIInChI=1S/C14H27N3O2/c1-12(2)10-13(3)11-17-14(19)4-5-15-6-7-16-8-9-18/h15-16,18H,4-9,11H2,1-3H3,(H,17,19)
InChIKeySQVVLUHEZVITOJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.18
Rot. Bonds10

About N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide

N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide (PubChem CID 89061387) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide
PubChem CID89061387
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide
SMILESCC(C)=C=C(C)CNC(=O)CCNCCNCCO
InChIInChI=1S/C14H27N3O2/c1-12(2)10-13(3)11-17-14(19)4-5-15-6-7-16-8-9-18/h15-16,18H,4-9,11H2,1-3H3,(H,17,19)
InChIKeySQVVLUHEZVITOJ-UHFFFAOYSA-N
XLogP0.18
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-[[3-(2-hydroxyethylamino)-3-oxopropyl]amino]propanamide
CID 86062914
3-[2-(2-hydroxyethylamino)ethylamino]-N-(2,2,4-trimethylpent-3-enyl)propanamide
CID 89061424
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N'-[2-(2-hydroxyethylamino)ethyl]-N-propylhexanediamide;methane
CID 162065601
N-[2-(2-hydroxyethylamino)ethyl]undecanamide
CID 102117562
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
N-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
3-(6-hydroxyhexylamino)-N-propylpropanamide
CID 107703341
CID 172719967
CID 172719967
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide?
The IUPAC name of N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide (CID 89061387) is N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide is CC(C)=C=C(C)CNC(=O)CCNCCNCCO.
What is the InChIKey of N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide?
The InChIKey is SQVVLUHEZVITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)10-13(3)11-17-14(19)4-5-15-6-7-16-8-9-18/h15-16,18H,4-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide?
N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.18, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpenta-2,3-dienyl)-3-[2-(2-hydroxyethylamino)ethylamino]propanamide is sourced from PubChem (CID 89061387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).