N-octan-4-ylpentanamide

C13H27NO — CID 91803774

IUPACN-octan-4-ylpentanamide
SMILESCCCCC(=O)NC(CCC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-10-12(9-6-3)14-13(15)11-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyOWRSHLUVUIHKNA-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.65
Rot. Bonds9

About N-octan-4-ylpentanamide

N-octan-4-ylpentanamide (PubChem CID 91803774) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-octan-4-ylpentanamide.

Molecular Properties

Compound NameN-octan-4-ylpentanamide
PubChem CID91803774
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-octan-4-ylpentanamide
SMILESCCCCC(=O)NC(CCC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-10-12(9-6-3)14-13(15)11-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyOWRSHLUVUIHKNA-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-octan-4-ylbutanamide
CID 106022325
4-chloro-N-octan-4-ylbutanamide
CID 106019308
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
2-(methylamino)-N-octan-4-ylacetamide;hydrochloride
CID 119816540
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-pentan-3-yldocosanamide
CID 123339332
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
N-pentan-2-ylundecanamide
CID 173258559
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
N-(1-hydroxyhexan-2-yl)icos-11-enamide
CID 173265163
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
1-[2-(octan-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 106019145

Frequently Asked Questions

What is the IUPAC name of N-octan-4-ylpentanamide?
The IUPAC name of N-octan-4-ylpentanamide (CID 91803774) is N-octan-4-ylpentanamide.
What is the SMILES notation for N-octan-4-ylpentanamide?
The canonical SMILES for N-octan-4-ylpentanamide is CCCCC(=O)NC(CCC)CCCC.
What is the InChIKey of N-octan-4-ylpentanamide?
The InChIKey is OWRSHLUVUIHKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-10-12(9-6-3)14-13(15)11-8-5-2/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-octan-4-ylpentanamide?
N-octan-4-ylpentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-ylpentanamide is sourced from PubChem (CID 91803774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).