N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide

C12H16N2O2 — CID 117314403

IUPACN-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C1(CN)CC1
InChIInChI=1S/C12H16N2O2/c1-8(15)14-11-9(3-2-4-10(11)16)12(7-13)5-6-12/h2-4,16H,5-7,13H2,1H3,(H,14,15)
InChIKeyBVKKROYQWWCGSV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.34
Rot. Bonds3

About N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide

N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide (PubChem CID 117314403) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
PubChem CID117314403
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(O)cccc1C1(CN)CC1
InChIInChI=1S/C12H16N2O2/c1-8(15)14-11-9(3-2-4-10(11)16)12(7-13)5-6-12/h2-4,16H,5-7,13H2,1H3,(H,14,15)
InChIKeyBVKKROYQWWCGSV-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide?
The IUPAC name of N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide (CID 117314403) is N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide is CC(=O)Nc1c(O)cccc1C1(CN)CC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide?
The InChIKey is BVKKROYQWWCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(15)14-11-9(3-2-4-10(11)16)12(7-13)5-6-12/h2-4,16H,5-7,13H2,1H3,(H,14,15).
What are the key properties of N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide?
N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclopropyl]-6-hydroxyphenyl]acetamide is sourced from PubChem (CID 117314403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).