N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H28N2O3 — CID 119641383

IUPACN-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyLQGGMYUNCQEDKA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 119641383) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID119641383
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21)
InChIKeyLQGGMYUNCQEDKA-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)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-[3-(aminomethyl)pentan-3-yl]-4-(oxolan-2-ylmethoxy)benzamide;hydrochloride
CID 119570024
2-methyl-3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]-2-phenylpropanoic acid
CID 120700819
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55587996
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 119641383) is N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide is CCC(N)(CC)CNC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is LQGGMYUNCQEDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-18(19,4-2)13-20-17(21)14-7-9-15(10-8-14)23-12-16-6-5-11-22-16/h7-10,16H,3-6,11-13,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(2-amino-2-ethylbutyl)-4-(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)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 119641383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).