N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide

C17H24N2O4 — CID 112794067

IUPACN-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(2)19(10-16(18)20)17(21)13-5-7-14(8-6-13)23-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,18,20)
InChIKeyWFYKLESWMHCSPK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.58
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide

N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide (PubChem CID 112794067) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
PubChem CID112794067
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(N)=O)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H24N2O4/c1-12(2)19(10-16(18)20)17(21)13-5-7-14(8-6-13)23-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,18,20)
InChIKeyWFYKLESWMHCSPK-UHFFFAOYSA-N
XLogP1.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
2-[methyl(propan-2-yl)amino]-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 75462382
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
CID 54846765
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 86925767
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide (CID 112794067) is N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide is CC(C)N(CC(N)=O)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide?
The InChIKey is WFYKLESWMHCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(2)19(10-16(18)20)17(21)13-5-7-14(8-6-13)23-11-15-4-3-9-22-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H2,18,20).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-(oxolan-2-ylmethoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 112794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).