N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide

C13H20N2O2 — CID 65036205

IUPACN-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
SMILESCC(CO)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(10-16)7-14-9-13(17)15-8-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17)
InChIKeyXIWUIZYCDWDWAU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.52
Rot. Bonds7

About N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide

N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide (PubChem CID 65036205) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
PubChem CID65036205
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
SMILESCC(CO)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(10-16)7-14-9-13(17)15-8-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17)
InChIKeyXIWUIZYCDWDWAU-UHFFFAOYSA-N
XLogP0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]acetamide
CID 81419811
N-(3-hydroxy-2-methylpropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 65031542

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide?
The IUPAC name of N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide (CID 65036205) is N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide?
The canonical SMILES for N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide is CC(CO)CNCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide?
The InChIKey is XIWUIZYCDWDWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(10-16)7-14-9-13(17)15-8-12-5-3-2-4-6-12/h2-6,11,14,16H,7-10H2,1H3,(H,15,17).
What are the key properties of N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide?
N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide is sourced from PubChem (CID 65036205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).