3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide

C12H18N2O2 — CID 107230401

IUPAC3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
SMILESCC(CNCc1cccc(CO)c1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(12(13)16)6-14-7-10-3-2-4-11(5-10)8-15/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyVIGWDVZLGHPBNO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.39
Rot. Bonds6

About 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide

3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide (PubChem CID 107230401) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
PubChem CID107230401
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide
SMILESCC(CNCc1cccc(CO)c1)C(N)=O
InChIInChI=1S/C12H18N2O2/c1-9(12(13)16)6-14-7-10-3-2-4-11(5-10)8-15/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyVIGWDVZLGHPBNO-UHFFFAOYSA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107230736
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
propan-2-yl 2-[[3-(hydroxymethyl)phenyl]methylamino]acetate
CID 107230734
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
methyl 3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylpropanoate
CID 107231032
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
[3-[(2-propan-2-ylsulfonylethylamino)methyl]phenyl]methanol
CID 107230378
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
3-[[3-(hydroxymethyl)phenyl]methylamino]butanoic acid
CID 107230406

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide (CID 107230401) is 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide is CC(CNCc1cccc(CO)c1)C(N)=O.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide?
The InChIKey is VIGWDVZLGHPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(12(13)16)6-14-7-10-3-2-4-11(5-10)8-15/h2-5,9,14-15H,6-8H2,1H3,(H2,13,16).
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide?
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanamide is sourced from PubChem (CID 107230401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).