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2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide

C12H18N2O3 — CID 43499874

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC(C)CO)c1
InChIInChI=1S/C12H18N2O3/c1-9(8-15)13-7-12(16)14-10-4-3-5-11(6-10)17-2/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyHZQXSVLAWAJCHV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.60
Rot. Bonds6

About 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide

2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide (PubChem CID 43499874) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
PubChem CID43499874
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNC(C)CO)c1
InChIInChI=1S/C12H18N2O3/c1-9(8-15)13-7-12(16)14-10-4-3-5-11(6-10)17-2/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyHZQXSVLAWAJCHV-UHFFFAOYSA-N
XLogP0.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide (CID 43499874) is 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNC(C)CO)c1.
What is the InChIKey of 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide?
The InChIKey is HZQXSVLAWAJCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(8-15)13-7-12(16)14-10-4-3-5-11(6-10)17-2/h3-6,9,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide?
2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 43499874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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