N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide

C16H31NO2 — CID 91095079

IUPACN-(cyclopentylmethyl)-2-octan-2-yloxyacetamide
SMILESCCCCCCC(C)OCC(=O)NCC1CCCC1
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-9-14(2)19-13-16(18)17-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyZEEIQGKKWCLZEX-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.67
Rot. Bonds10

About N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide

N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide (PubChem CID 91095079) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-octan-2-yloxyacetamide
PubChem CID91095079
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(cyclopentylmethyl)-2-octan-2-yloxyacetamide
SMILESCCCCCCC(C)OCC(=O)NCC1CCCC1
InChIInChI=1S/C16H31NO2/c1-3-4-5-6-9-14(2)19-13-16(18)17-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3,(H,17,18)
InChIKeyZEEIQGKKWCLZEX-UHFFFAOYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
1-octan-2-yloxypentan-2-one
CID 62042507
2-cyclohexyl-N-octylacetamide
CID 3547359
octan-2-yl 2-(cyclopentylamino)acetate
CID 61303088
N-(cyclopentylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604798
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
N-[(4-chlorocyclohexyl)methyl]octanamide
CID 106133761
N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62456636
N-heptan-2-ylcyclopentanecarboxamide
CID 5012700
N-(piperidin-4-ylmethyl)heptanamide
CID 115736684
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide (CID 91095079) is N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide is CCCCCCC(C)OCC(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide?
The InChIKey is ZEEIQGKKWCLZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-4-5-6-9-14(2)19-13-16(18)17-12-15-10-7-8-11-15/h14-15H,3-13H2,1-2H3,(H,17,18).
What are the key properties of N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide?
N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide has a molecular weight of 269.43 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide is sourced from PubChem (CID 91095079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).