N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide

C20H25N3O3 — CID 17484415

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)22-17(24)13-23(4)18(25)12-21-19(26)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3,(H,21,26)(H,22,24)
InChIKeyREHCXKRSVGDRHB-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 17484415) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID17484415
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O3/c1-20(2,3)22-17(24)13-23(4)18(25)12-21-19(26)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3,(H,21,26)(H,22,24)
InChIKeyREHCXKRSVGDRHB-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17486763
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 87002258
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
[2-(tert-butylamino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507385
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
CID 71329089
N-propylnaphthalene-2-carboxamide
CID 6624536

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide (CID 17484415) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide is CN(CC(=O)NC(C)(C)C)C(=O)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is REHCXKRSVGDRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)22-17(24)13-23(4)18(25)12-21-19(26)16-10-9-14-7-5-6-8-15(14)11-16/h5-11H,12-13H2,1-4H3,(H,21,26)(H,22,24).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 17484415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).