N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide

C15H25N3O2 — CID 103838945

IUPACN-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCC(C)(O)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-12(19)17-14-8-6-5-7-13(14)9-16-10-15(2,20)11-18(3)4/h5-8,16,20H,9-11H2,1-4H3,(H,17,19)
InChIKeyVWHZYNDHQJLPGP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.05
Rot. Bonds7

About N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide

N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide (PubChem CID 103838945) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
PubChem CID103838945
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCC(C)(O)CN(C)C
InChIInChI=1S/C15H25N3O2/c1-12(19)17-14-8-6-5-7-13(14)9-16-10-15(2,20)11-18(3)4/h5-8,16,20H,9-11H2,1-4H3,(H,17,19)
InChIKeyVWHZYNDHQJLPGP-UHFFFAOYSA-N
XLogP1.05
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-2-methyl-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 103838849
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-[[(2-acetamidophenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128895
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[[2-(dimethylsulfamoyl)ethylamino]methyl]phenyl]acetamide
CID 106335613
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
1-(1,3-benzodioxol-4-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838999
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
4-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]benzamide
CID 103839007

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide (CID 103838945) is N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCC(C)(O)CN(C)C.
What is the InChIKey of N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide?
The InChIKey is VWHZYNDHQJLPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(19)17-14-8-6-5-7-13(14)9-16-10-15(2,20)11-18(3)4/h5-8,16,20H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide?
N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103838945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).