2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide

C21H30N2O2 — CID 17053675

IUPAC2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
SMILESCCC(C)NCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O2/c1-6-15(2)22-13-18-17-10-8-7-9-16(17)11-12-19(18)25-14-20(24)23-21(3,4)5/h7-12,15,22H,6,13-14H2,1-5H3,(H,23,24)
InChIKeyASTJMCBUJKDJQC-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.02
Rot. Bonds7

About 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide

2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide (PubChem CID 17053675) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
PubChem CID17053675
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
SMILESCCC(C)NCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C21H30N2O2/c1-6-15(2)22-13-18-17-10-8-7-9-16(17)11-12-19(18)25-14-20(24)23-21(3,4)5/h7-12,15,22H,6,13-14H2,1-5H3,(H,23,24)
InChIKeyASTJMCBUJKDJQC-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-tert-butyl-2-[1-[(octylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053725
N-tert-butyl-2-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053671
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-[1-[(heptylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053670
N-tert-butyl-2-[1-[(cyclooctylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053729
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053687
N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The IUPAC name of 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide (CID 17053675) is 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide.
What is the SMILES notation for 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The canonical SMILES for 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide is CCC(C)NCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.
What is the InChIKey of 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
The InChIKey is ASTJMCBUJKDJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-6-15(2)22-13-18-17-10-8-7-9-16(17)11-12-19(18)25-14-20(24)23-21(3,4)5/h7-12,15,22H,6,13-14H2,1-5H3,(H,23,24).
What are the key properties of 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide?
2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide has a molecular weight of 342.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(butan-2-ylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide is sourced from PubChem (CID 17053675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).