N-(4-hydroxypentyl)propanamide

C8H17NO2 — CID 107299540

IUPACN-(4-hydroxypentyl)propanamide
SMILESCCC(=O)NCCCC(C)O
InChIInChI=1S/C8H17NO2/c1-3-8(11)9-6-4-5-7(2)10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLAHBQLKRVLLEDN-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds5

About N-(4-hydroxypentyl)propanamide

N-(4-hydroxypentyl)propanamide (PubChem CID 107299540) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(4-hydroxypentyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)propanamide
PubChem CID107299540
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(4-hydroxypentyl)propanamide
SMILESCCC(=O)NCCCC(C)O
InChIInChI=1S/C8H17NO2/c1-3-8(11)9-6-4-5-7(2)10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLAHBQLKRVLLEDN-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyheptyl)propanamide
CID 91284740
N-(4-methylpentyl)propanamide
CID 54140551
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-[5-hydroxy-4-(hydroxymethyl)pentyl]propanamide
CID 177233499
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-(4-hydroxypentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 107300430
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)propanamide?
The IUPAC name of N-(4-hydroxypentyl)propanamide (CID 107299540) is N-(4-hydroxypentyl)propanamide.
What is the SMILES notation for N-(4-hydroxypentyl)propanamide?
The canonical SMILES for N-(4-hydroxypentyl)propanamide is CCC(=O)NCCCC(C)O.
What is the InChIKey of N-(4-hydroxypentyl)propanamide?
The InChIKey is LAHBQLKRVLLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-8(11)9-6-4-5-7(2)10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(4-hydroxypentyl)propanamide?
N-(4-hydroxypentyl)propanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)propanamide is sourced from PubChem (CID 107299540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).