N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide

C18H28N2O3 — CID 119640288

IUPACN-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-5-8-15(11-14)23-12-16-9-6-10-22-16/h5,7-8,11,16H,3-4,6,9-10,12-13,19H2,1-2H3,(H,20,21)
InChIKeyKNRUOENZZPWWEU-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide

N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119640288) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID119640288
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-5-8-15(11-14)23-12-16-9-6-10-22-16/h5,7-8,11,16H,3-4,6,9-10,12-13,19H2,1-2H3,(H,20,21)
InChIKeyKNRUOENZZPWWEU-UHFFFAOYSA-N
XLogP2.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 119643641
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(4-aminocyclohexyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119475074

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide (CID 119640288) is N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide is CCC(N)(CC)CNC(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is KNRUOENZZPWWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-5-8-15(11-14)23-12-16-9-6-10-22-16/h5,7-8,11,16H,3-4,6,9-10,12-13,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide?
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119640288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).