N-(6-hydroxyheptyl)propanamide

C10H21NO2 — CID 91284740

IUPACN-(6-hydroxyheptyl)propanamide
SMILESCCC(=O)NCCCCCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-10(13)11-8-6-4-5-7-9(2)12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyVDVHNLWGCASWCI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.45
Rot. Bonds7

About N-(6-hydroxyheptyl)propanamide

N-(6-hydroxyheptyl)propanamide (PubChem CID 91284740) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(6-hydroxyheptyl)propanamide.

Molecular Properties

Compound NameN-(6-hydroxyheptyl)propanamide
PubChem CID91284740
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(6-hydroxyheptyl)propanamide
SMILESCCC(=O)NCCCCCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-10(13)11-8-6-4-5-7-9(2)12/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyVDVHNLWGCASWCI-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.45
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-(4-hydroxypentyl)propanamide
CID 107299540
5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
ethane;methane;N-[5-(propanoylamino)hexyl]propanamide
CID 159658097
N-(5,6-dihydroxyhexyl)propanamide;ethane
CID 156842187
N-(4-methylpentyl)propanamide
CID 54140551
11-(propanoylamino)undecanamide
CID 89244012
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
N-(4-hydroxypentyl)-3-methylpentanamide
CID 107300592
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyheptyl)propanamide?
The IUPAC name of N-(6-hydroxyheptyl)propanamide (CID 91284740) is N-(6-hydroxyheptyl)propanamide.
What is the SMILES notation for N-(6-hydroxyheptyl)propanamide?
The canonical SMILES for N-(6-hydroxyheptyl)propanamide is CCC(=O)NCCCCCC(C)O.
What is the InChIKey of N-(6-hydroxyheptyl)propanamide?
The InChIKey is VDVHNLWGCASWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-10(13)11-8-6-4-5-7-9(2)12/h9,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-(6-hydroxyheptyl)propanamide?
N-(6-hydroxyheptyl)propanamide has a molecular weight of 187.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyheptyl)propanamide is sourced from PubChem (CID 91284740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).