N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide

C13H18N2O2 — CID 63335569

IUPACN-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)8-10-2-4-11(5-3-10)15-12-6-7-17-9-12/h2-5,12,15H,6-9H2,1H3,(H,14,16)
InChIKeyLJKPBZCARJSDDR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.18
Rot. Bonds4

About N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide

N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide (PubChem CID 63335569) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
PubChem CID63335569
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCNC(=O)Cc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C13H18N2O2/c1-14-13(16)8-10-2-4-11(5-3-10)15-12-6-7-17-9-12/h2-5,12,15H,6-9H2,1H3,(H,14,16)
InChIKeyLJKPBZCARJSDDR-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide (CID 63335569) is N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide is CNC(=O)Cc1ccc(NC2CCOC2)cc1.
What is the InChIKey of N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide?
The InChIKey is LJKPBZCARJSDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-13(16)8-10-2-4-11(5-3-10)15-12-6-7-17-9-12/h2-5,12,15H,6-9H2,1H3,(H,14,16).
What are the key properties of N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide?
N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 63335569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).