N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide

C25H36N2O2 — CID 17053729

IUPACN-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNC1CCCCCCC1
InChIInChI=1S/C25H36N2O2/c1-25(2,3)27-24(28)18-29-23-16-15-19-11-9-10-14-21(19)22(23)17-26-20-12-7-5-4-6-8-13-20/h9-11,14-16,20,26H,4-8,12-13,17-18H2,1-3H3,(H,27,28)
InChIKeyACTYIEZVERBJSS-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.34
Rot. Bonds6

About N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide

N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053729) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053729
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
SMILESCC(C)(C)NC(=O)COc1ccc2ccccc2c1CNC1CCCCCCC1
InChIInChI=1S/C25H36N2O2/c1-25(2,3)27-24(28)18-29-23-16-15-19-11-9-10-14-21(19)22(23)17-26-20-12-7-5-4-6-8-13-20/h9-11,14-16,20,26H,4-8,12-13,17-18H2,1-3H3,(H,27,28)
InChIKeyACTYIEZVERBJSS-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[2-[(cyclopentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053186
N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053727
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
2-[3-bromo-2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536159
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053675
N-tert-butyl-2-[1-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
N-tert-butyl-2-[1-[(3-ethoxypropylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053659
N-tert-butyl-2-[2-[(cyclopropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053262
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]cyclohexanamine
CID 4721414
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 17053729) is N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide is CC(C)(C)NC(=O)COc1ccc2ccccc2c1CNC1CCCCCCC1.
What is the InChIKey of N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is ACTYIEZVERBJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-25(2,3)27-24(28)18-29-23-16-15-19-11-9-10-14-21(19)22(23)17-26-20-12-7-5-4-6-8-13-20/h9-11,14-16,20,26H,4-8,12-13,17-18H2,1-3H3,(H,27,28).
What are the key properties of N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide?
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 396.58 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).