N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide

C22H33N3O2 — CID 17053687

IUPACN-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
SMILESCN(C)CCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C22H33N3O2/c1-22(2,3)24-21(26)16-27-20-12-11-17-9-6-7-10-18(17)19(20)15-23-13-8-14-25(4)5/h6-7,9-12,23H,8,13-16H2,1-5H3,(H,24,26)
InChIKeyBFJAFHUTFMZLOY-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.17
Rot. Bonds9

About N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide

N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053687) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
PubChem CID17053687
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide
SMILESCN(C)CCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C22H33N3O2/c1-22(2,3)24-21(26)16-27-20-12-11-17-9-6-7-10-18(17)19(20)15-23-13-8-14-25(4)5/h6-7,9-12,23H,8,13-16H2,1-5H3,(H,24,26)
InChIKeyBFJAFHUTFMZLOY-UHFFFAOYSA-N
XLogP3.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[1-[[3-(methylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide;dihydrochloride
CID 17053720
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-[(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-[(prop-2-enylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053679
2-[1-[(benzylamino)methyl]naphthalen-2-yl]oxy-N-tert-butylacetamide
CID 17053617
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide
CID 17053735
N-tert-butyl-2-[1-[[(4-methoxyphenyl)methylamino]methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053734
N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053727
N-tert-butyl-2-[1-[(thiophen-2-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide;hydrochloride
CID 17053652
N-tert-butyl-2-[1-[(pyridin-3-ylmethylamino)methyl]naphthalen-2-yl]oxyacetamide
CID 17053647

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The IUPAC name of N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide (CID 17053687) is N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide is CN(C)CCCNCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.
What is the InChIKey of N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
The InChIKey is BFJAFHUTFMZLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-22(2,3)24-21(26)16-27-20-12-11-17-9-6-7-10-18(17)19(20)15-23-13-8-14-25(4)5/h6-7,9-12,23H,8,13-16H2,1-5H3,(H,24,26).
What are the key properties of N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide?
N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 371.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-[[3-(dimethylamino)propylamino]methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).