2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide

C13H18N2O2 — CID 141177942

IUPAC2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide
SMILESCN(C)CC1(O)CC1(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-15(2)9-12(17)8-13(12,11(14)16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H2,14,16)
InChIKeyXLBGMFFKSNKNGI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.11
Rot. Bonds4

About 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide

2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide (PubChem CID 141177942) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide
PubChem CID141177942
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide
SMILESCN(C)CC1(O)CC1(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-15(2)9-12(17)8-13(12,11(14)16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H2,14,16)
InChIKeyXLBGMFFKSNKNGI-UHFFFAOYSA-N
XLogP0.11
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide (CID 141177942) is 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide is CN(C)CC1(O)CC1(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XLBGMFFKSNKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)9-12(17)8-13(12,11(14)16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide?
2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-2-hydroxy-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 141177942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).