1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide

C13H18N2O2 — CID 83292674

IUPAC1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCNC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)17-9-8-15-12(16)13(14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyAUIIIKZTSFZYOK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds5

About 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 83292674) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID83292674
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccc(OCCNC(=O)C2(N)CC2)cc1
InChIInChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)17-9-8-15-12(16)13(14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16)
InChIKeyAUIIIKZTSFZYOK-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide (CID 83292674) is 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide is Cc1ccc(OCCNC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is AUIIIKZTSFZYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-2-4-11(5-3-10)17-9-8-15-12(16)13(14)6-7-13/h2-5H,6-9,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 83292674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).