N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide

C9H19NO3 — CID 177233499

IUPACN-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
SMILESCCC(=O)NCCCC(CO)CO
InChIInChI=1S/C9H19NO3/c1-2-9(13)10-5-3-4-8(6-11)7-12/h8,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyQKPOIYKKGBEUNF-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds7

About N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide

N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide (PubChem CID 177233499) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide.

Molecular Properties

Compound NameN-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
PubChem CID177233499
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
SMILESCCC(=O)NCCCC(CO)CO
InChIInChI=1S/C9H19NO3/c1-2-9(13)10-5-3-4-8(6-11)7-12/h8,11-12H,2-7H2,1H3,(H,10,13)
InChIKeyQKPOIYKKGBEUNF-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)propanamide
CID 54140551
N-(4-hydroxypentyl)propanamide
CID 107299540
(2S)-N-[5-(hydroxymethyl)-6-methoxyhexyl]-2,5-bis(propanoylamino)pentanamide
CID 159171513
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
N-(6-hydroxyheptyl)propanamide
CID 91284740
tert-butyl [2-(hydroxymethyl)-6-(propanoylamino)hexyl] phosphate
CID 140808423
N-(3-aminopropyl)propanamide
CID 21290277
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
(5E,8E,11E,14E,17E)-N-[6-hydroxy-5-(hydroxymethyl)hexyl]icosa-5,8,11,14,17-pentaenamide
CID 178188600
ethane;N-undecylpropanamide
CID 155706114

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide?
The IUPAC name of N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide (CID 177233499) is N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide.
What is the SMILES notation for N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide?
The canonical SMILES for N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide is CCC(=O)NCCCC(CO)CO.
What is the InChIKey of N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide?
The InChIKey is QKPOIYKKGBEUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-9(13)10-5-3-4-8(6-11)7-12/h8,11-12H,2-7H2,1H3,(H,10,13).
What are the key properties of N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide?
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide is sourced from PubChem (CID 177233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).