4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide

C14H22N2O2 — CID 81414423

IUPAC4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-8-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18)
InChIKeyBKVYGYUVBWYDEG-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.15
Rot. Bonds6

About 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide

4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide (PubChem CID 81414423) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
PubChem CID81414423
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-8-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18)
InChIKeyBKVYGYUVBWYDEG-UHFFFAOYSA-N
XLogP1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]-N-methylbenzamide
CID 111467882
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-N-methylbenzamide
CID 111469022
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]benzoic acid
CID 66170449
tert-butyl N-[4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]phenyl]carbamate
CID 107239514
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597
ethane;N-methyl-4-[(2-methylhydrazinyl)methyl]benzamide
CID 153377467
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide (CID 81414423) is 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC(C)(C)CO)cc1.
What is the InChIKey of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide?
The InChIKey is BKVYGYUVBWYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,10-17)9-16-8-11-4-6-12(7-5-11)13(18)15-3/h4-7,16-17H,8-10H2,1-3H3,(H,15,18).
What are the key properties of 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide?
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 81414423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).