N-[3-(hydroxymethyl)pentan-3-yl]octanamide

C14H29NO2 — CID 55082633

IUPACN-[3-(hydroxymethyl)pentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-10-11-13(17)15-14(5-2,6-3)12-16/h16H,4-12H2,1-3H3,(H,15,17)
InChIKeyZJUQNQRFSGQCRS-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.01
Rot. Bonds10

About N-[3-(hydroxymethyl)pentan-3-yl]octanamide

N-[3-(hydroxymethyl)pentan-3-yl]octanamide (PubChem CID 55082633) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]octanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]octanamide
PubChem CID55082633
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]octanamide
SMILESCCCCCCCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-10-11-13(17)15-14(5-2,6-3)12-16/h16H,4-12H2,1-3H3,(H,15,17)
InChIKeyZJUQNQRFSGQCRS-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.01
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-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
CID 65427888
6-[3-(hydroxymethyl)pentan-3-ylamino]-6-oxohexanoic acid
CID 62523466
N-[3-(aminomethyl)pentan-3-yl]octanamide
CID 63767635
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]pentanamide
CID 62519658
N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
4-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865748
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581
N-(3-methylpentan-3-yl)hexanamide
CID 90883485
4-(2-carboxyethyl)-4-(hexanoylamino)heptanedioic acid
CID 102045445
[2-[(2-aminoacetyl)amino]-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate
CID 101219690
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]octanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]octanamide (CID 55082633) is N-[3-(hydroxymethyl)pentan-3-yl]octanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]octanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]octanamide is CCCCCCCC(=O)NC(CC)(CC)CO.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]octanamide?
The InChIKey is ZJUQNQRFSGQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-8-9-10-11-13(17)15-14(5-2,6-3)12-16/h16H,4-12H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]octanamide?
N-[3-(hydroxymethyl)pentan-3-yl]octanamide has a molecular weight of 243.39 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]octanamide is sourced from PubChem (CID 55082633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).