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

C18H37NO2 — CID 65427888

IUPACN-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C18H37NO2/c1-4-7-8-9-10-11-12-13-14-15-17(21)19-18(5-2,6-3)16-20/h20H,4-16H2,1-3H3,(H,19,21)
InChIKeyWXGYXZNHUKZCRT-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.57
Rot. Bonds14

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

N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide (PubChem CID 65427888) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
PubChem CID65427888
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C18H37NO2/c1-4-7-8-9-10-11-12-13-14-15-17(21)19-18(5-2,6-3)16-20/h20H,4-16H2,1-3H3,(H,19,21)
InChIKeyWXGYXZNHUKZCRT-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.57
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]octanamide
CID 55082633
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]dodecanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide (CID 65427888) is N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide is CCCCCCCCCCCC(=O)NC(CC)(CC)CO.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide?
The InChIKey is WXGYXZNHUKZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-8-9-10-11-12-13-14-15-17(21)19-18(5-2,6-3)16-20/h20H,4-16H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide?
N-[3-(hydroxymethyl)pentan-3-yl]dodecanamide has a molecular weight of 299.50 g/mol, XLogP of 4.57, 14 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]dodecanamide is sourced from PubChem (CID 65427888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).