2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide

C12H18N2O3 — CID 106190626

IUPAC2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
SMILESCOCC(CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3/c1-17-8-10(7-15)14-6-9-4-2-3-5-11(9)12(13)16/h2-5,10,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyXVAPZCRUJBQBRU-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.12
Rot. Bonds7

About 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide

2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide (PubChem CID 106190626) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
PubChem CID106190626
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide
SMILESCOCC(CO)NCc1ccccc1C(N)=O
InChIInChI=1S/C12H18N2O3/c1-17-8-10(7-15)14-6-9-4-2-3-5-11(9)12(13)16/h2-5,10,14-15H,6-8H2,1H3,(H2,13,16)
InChIKeyXVAPZCRUJBQBRU-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79248915
2-[(2-hydroxyphenyl)methylamino]-3-methoxypropanamide
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3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
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2-[(1-methylsulfonylpropan-2-ylamino)methyl]benzamide
CID 64629794
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
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2-[(pent-1-yn-3-ylamino)methyl]benzamide
CID 106229276
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372
2-[(2,6-dimethylphenyl)methylamino]-3-methoxypropan-1-ol
CID 106187895
2-[(2-ethylphenyl)methylamino]propane-1,3-diol
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ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide?
The IUPAC name of 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide (CID 106190626) is 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide is COCC(CO)NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide?
The InChIKey is XVAPZCRUJBQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-8-10(7-15)14-6-9-4-2-3-5-11(9)12(13)16/h2-5,10,14-15H,6-8H2,1H3,(H2,13,16).
What are the key properties of 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide?
2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide has a molecular weight of 238.29 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 106190626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).