N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide

C11H19NO3 — CID 109478558

IUPACN-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(O)C(C)C
InChIInChI=1S/C11H19NO3/c1-4-6-15-7-5-11(14)12-8-10(13)9(2)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,14)
InChIKeyWIWFELCAXQLXEL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.16
Rot. Bonds7

About N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide

N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide (PubChem CID 109478558) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
PubChem CID109478558
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(O)C(C)C
InChIInChI=1S/C11H19NO3/c1-4-6-15-7-5-11(14)12-8-10(13)9(2)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,14)
InChIKeyWIWFELCAXQLXEL-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
CID 109478571
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-prop-2-ynoxypropanamide
CID 146368927
4-methyl-N-[2-(2-prop-2-ynoxyethoxy)ethyl]pentanamide
CID 156733351
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 138710366
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
CID 109476501

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide (CID 109478558) is N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide is C#CCOCCC(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide?
The InChIKey is WIWFELCAXQLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-15-7-5-11(14)12-8-10(13)9(2)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,14).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide?
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide has a molecular weight of 213.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 109478558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).