4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide

C16H26N2O2 — CID 111467882

IUPAC4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(C)(C)CC(C)O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(19)9-16(2,3)11-18-10-13-5-7-14(8-6-13)15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20)
InChIKeyBCPVLWVPOOODIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.93
Rot. Bonds7

About 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide

4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide (PubChem CID 111467882) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide
PubChem CID111467882
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(C)(C)CC(C)O)cc1
InChIInChI=1S/C16H26N2O2/c1-12(19)9-16(2,3)11-18-10-13-5-7-14(8-6-13)15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20)
InChIKeyBCPVLWVPOOODIN-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
CID 81414423
4-N-(4-hydroxy-2,2-dimethylpentyl)benzene-1,4-dicarboxamide
CID 111520130
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
N-methyl-4-[[(4-methyl-4-phenylpentan-2-yl)amino]methyl]benzamide
CID 119127093
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide (CID 111467882) is 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC(C)(C)CC(C)O)cc1.
What is the InChIKey of 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide?
The InChIKey is BCPVLWVPOOODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(19)9-16(2,3)11-18-10-13-5-7-14(8-6-13)15(20)17-4/h5-8,12,18-19H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide?
4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111467882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).