4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide

C14H23N3O2 — CID 103839007

IUPAC4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
SMILESCN(C)CC(C)(O)CNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-8-11-4-6-12(7-5-11)13(15)18/h4-7,16,19H,8-10H2,1-3H3,(H2,15,18)
InChIKeySWUTWEAPTKLGMY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.19
Rot. Bonds7

About 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide

4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide (PubChem CID 103839007) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
PubChem CID103839007
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
SMILESCN(C)CC(C)(O)CNCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-8-11-4-6-12(7-5-11)13(15)18/h4-7,16,19H,8-10H2,1-3H3,(H2,15,18)
InChIKeySWUTWEAPTKLGMY-UHFFFAOYSA-N
XLogP0.19
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)methylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838978
1-(dimethylamino)-2-methyl-3-[(4-nitrophenyl)methylamino]propan-2-ol
CID 103838866
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
3-amino-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]benzamide
CID 106141828
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
methyl 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-fluorobenzoate
CID 106149213
methyl 5-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]furan-2-carboxylate
CID 103923755
1-(dimethylamino)-3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838837
3-chloro-4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 106148684
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243
N-carbamoyl-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]acetamide
CID 106147492

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide?
The IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide (CID 103839007) is 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide?
The canonical SMILES for 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide is CN(C)CC(C)(O)CNCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide?
The InChIKey is SWUTWEAPTKLGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(19,10-17(2)3)9-16-8-11-4-6-12(7-5-11)13(15)18/h4-7,16,19H,8-10H2,1-3H3,(H2,15,18).
What are the key properties of 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide?
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide has a molecular weight of 265.36 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide is sourced from PubChem (CID 103839007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).