2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

C12H25N3O3 — CID 78964889

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C12H25N3O3/c1-9(2)6-13-11(17)14-10(16)7-15(5)8-12(3,4)18/h9,18H,6-8H2,1-5H3,(H2,13,14,16,17)
InChIKeyALUXRCSIZPQVTM-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.17
Rot. Bonds6

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 78964889) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID78964889
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C12H25N3O3/c1-9(2)6-13-11(17)14-10(16)7-15(5)8-12(3,4)18/h9,18H,6-8H2,1-5H3,(H2,13,14,16,17)
InChIKeyALUXRCSIZPQVTM-UHFFFAOYSA-N
XLogP0.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 62015752
2-[carboxymethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 63645647
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8588228
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 114952829
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262438
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide (CID 78964889) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN(C)CC(C)(C)O.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is ALUXRCSIZPQVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(2)6-13-11(17)14-10(16)7-15(5)8-12(3,4)18/h9,18H,6-8H2,1-5H3,(H2,13,14,16,17).
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 78964889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).