N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide

C16H26N2O3 — CID 60971674

IUPACN-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
SMILESCC(C)(C)OCC(O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-12-14(19)10-17-11-15(20)18-9-13-7-5-4-6-8-13/h4-8,14,17,19H,9-12H2,1-3H3,(H,18,20)
InChIKeyXYAVYYWQXWUUHG-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.07
Rot. Bonds8

About N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide

N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide (PubChem CID 60971674) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
PubChem CID60971674
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
SMILESCC(C)(C)OCC(O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-12-14(19)10-17-11-15(20)18-9-13-7-5-4-6-8-13/h4-8,14,17,19H,9-12H2,1-3H3,(H,18,20)
InChIKeyXYAVYYWQXWUUHG-UHFFFAOYSA-N
XLogP1.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036205
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 79101281
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
3-[[2-(benzylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277093
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide (CID 60971674) is N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide is CC(C)(C)OCC(O)CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide?
The InChIKey is XYAVYYWQXWUUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-12-14(19)10-17-11-15(20)18-9-13-7-5-4-6-8-13/h4-8,14,17,19H,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide?
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide has a molecular weight of 294.39 g/mol, XLogP of 1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide is sourced from PubChem (CID 60971674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).