3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide

C16H24N2O3 — CID 115949721

IUPAC3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
SMILESCC(C)(C)OCC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-12-15(20)18(10-9-14(17)19)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,17,19)
InChIKeyWNKHFNANXHJFHO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds7

About 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide

3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide (PubChem CID 115949721) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
PubChem CID115949721
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
SMILESCC(C)(C)OCC(=O)N(CCC(N)=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-12-15(20)18(10-9-14(17)19)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,17,19)
InChIKeyWNKHFNANXHJFHO-UHFFFAOYSA-N
XLogP1.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-amino-N-(3-amino-3-oxopropyl)-N-benzyl-2,2-dimethylpropanamide
CID 115426371
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
3-[benzyl-[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]propanamide
CID 28642354
[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
N',N'-dibenzylbutanediamide
CID 101024490
3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
3-[benzyl-[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 28642601

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide (CID 115949721) is 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide is CC(C)(C)OCC(=O)N(CCC(N)=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
The InChIKey is WNKHFNANXHJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-12-15(20)18(10-9-14(17)19)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H2,17,19).
What are the key properties of 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide?
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide is sourced from PubChem (CID 115949721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).