N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide

C16H32N2O2 — CID 177178703

IUPACN-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide
SMILESC=CC(C)OCCNC(=O)C(C)(C)CC(C)(C)CNC
InChIInChI=1S/C16H32N2O2/c1-8-13(2)20-10-9-18-14(19)16(5,6)11-15(3,4)12-17-7/h8,13,17H,1,9-12H2,2-7H3,(H,18,19)
InChIKeyLWORQYKNQMAUNH-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.36
Rot. Bonds10

About N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide

N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide (PubChem CID 177178703) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide
PubChem CID177178703
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide
SMILESC=CC(C)OCCNC(=O)C(C)(C)CC(C)(C)CNC
InChIInChI=1S/C16H32N2O2/c1-8-13(2)20-10-9-18-14(19)16(5,6)11-15(3,4)12-17-7/h8,13,17H,1,9-12H2,2-7H3,(H,18,19)
InChIKeyLWORQYKNQMAUNH-UHFFFAOYSA-N
XLogP2.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2,2,4,4,6-pentamethyl-5-oxoheptanamide
CID 177062288
ethane;3,3,5,5-tetramethyl-6-(methylamino)hexan-2-one
CID 144770471
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
2,2,4,4-tetramethyl-N-propylpentanamide
CID 144742473
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
1-[(E)-3,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108911431
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
3-(2,2-dimethyl-3-oxopent-4-enoxy)-N-(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 177062543
2-[2-(2,2-dimethylbutanoylamino)ethoxy]ethyl prop-2-enoate
CID 170223606
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
2,3-dimethylbutane;N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide;2-methylpropan-1-ol
CID 166130929
3-(2-fluoroethoxy)but-1-ene
CID 147901946

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide?
The IUPAC name of N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide (CID 177178703) is N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide.
What is the SMILES notation for N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide?
The canonical SMILES for N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide is C=CC(C)OCCNC(=O)C(C)(C)CC(C)(C)CNC.
What is the InChIKey of N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide?
The InChIKey is LWORQYKNQMAUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-8-13(2)20-10-9-18-14(19)16(5,6)11-15(3,4)12-17-7/h8,13,17H,1,9-12H2,2-7H3,(H,18,19).
What are the key properties of N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide?
N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide has a molecular weight of 284.44 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-en-2-yloxyethyl)-2,2,4,4-tetramethyl-5-(methylamino)pentanamide is sourced from PubChem (CID 177178703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).