2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide

C13H20N2O3 — CID 107865413

IUPAC2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
SMILESCCC(CO)(CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O3/c1-2-13(8-16,9-17)15-7-10-5-3-4-6-11(10)12(14)18/h3-6,15-17H,2,7-9H2,1H3,(H2,14,18)
InChIKeyJOSVFHSYSJCMAB-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.01
Rot. Bonds7

About 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide

2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide (PubChem CID 107865413) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
PubChem CID107865413
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide
SMILESCCC(CO)(CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C13H20N2O3/c1-2-13(8-16,9-17)15-7-10-5-3-4-6-11(10)12(14)18/h3-6,15-17H,2,7-9H2,1H3,(H2,14,18)
InChIKeyJOSVFHSYSJCMAB-UHFFFAOYSA-N
XLogP0.01
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
CID 57328060
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CID 155550246
N-(1-hydroxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3739314
N,N'-di-sec-butylphthalamide
CID 2837025
N1,N4-Bis(2-hydroxyethyl)-1,4-benzenedicarboxamide
CID 87854
2-Benzamidoethanol
CID 569526
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CID 884880

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide?
The IUPAC name of 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide (CID 107865413) is 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide?
The canonical SMILES for 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide is CCC(CO)(CO)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide?
The InChIKey is JOSVFHSYSJCMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-13(8-16,9-17)15-7-10-5-3-4-6-11(10)12(14)18/h3-6,15-17H,2,7-9H2,1H3,(H2,14,18).
What are the key properties of 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide?
2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 107865413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).