N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide

C13H26N2O3 — CID 112604570

IUPACN,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-15(8-2)12(17)10(3)14-11(16)9-18-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16)
InChIKeyGSHIBPAPIXFWTF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.17
Rot. Bonds6

About N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide

N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide (PubChem CID 112604570) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
PubChem CID112604570
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-7-15(8-2)12(17)10(3)14-11(16)9-18-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16)
InChIKeyGSHIBPAPIXFWTF-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[2-(2-methylpropoxy)propanoylamino]ethyl]propanamide
CID 47030971
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
Tert-butyl (2S)-2-[(2S)-2-aminopropanamido]propanoate
CID 7019950
(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide
CID 38136094
N-tert-butyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]propanamide
CID 53523868
2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 71934317
N-(2-methoxyethyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 75385915
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
N-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 136521272
4-(2-Butan-2-yloxyacetyl)-6-methylpiperazin-2-one
CID 136546640
tert-butyl 2-[[(2S)-2-aminopropanoyl]amino]acetate
CID 91979597
N-[(2R)-1-(3-fluoroazetidin-1-yl)-1-oxobutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 163706901

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide (CID 112604570) is N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide is CCN(CC)C(=O)C(C)NC(=O)COC(C)(C)C.
What is the InChIKey of N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The InChIKey is GSHIBPAPIXFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-15(8-2)12(17)10(3)14-11(16)9-18-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16).
What are the key properties of N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide has a molecular weight of 258.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide is sourced from PubChem (CID 112604570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).