2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide

C13H18N2O3 — CID 60796181

IUPAC2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(NC2CC2)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyIKTZWLODXORIPN-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds6

About 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide

2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 60796181) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID60796181
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(OC)cc(C(NC2CC2)C(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyIKTZWLODXORIPN-UHFFFAOYSA-N
XLogP0.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide (CID 60796181) is 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(OC)cc(C(NC2CC2)C(N)=O)c1.
What is the InChIKey of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is IKTZWLODXORIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-5-8(6-11(7-10)18-2)12(13(14)16)15-9-3-4-9/h5-7,9,12,15H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide?
2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 60796181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).