2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide

C17H24N2O2 — CID 81172925

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNCC1(CC(=O)N(Cc2cccc(O)c2)C2CC2)CCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(7-2-8-17)10-16(21)19(14-5-6-14)11-13-3-1-4-15(20)9-13/h1,3-4,9,14,20H,2,5-8,10-12,18H2
InChIKeyXFQIFSYYQGMZPM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (PubChem CID 81172925) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
PubChem CID81172925
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
SMILESNCC1(CC(=O)N(Cc2cccc(O)c2)C2CC2)CCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(7-2-8-17)10-16(21)19(14-5-6-14)11-13-3-1-4-15(20)9-13/h1,3-4,9,14,20H,2,5-8,10-12,18H2
InChIKeyXFQIFSYYQGMZPM-UHFFFAOYSA-N
XLogP2.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-(2-hydroxybenzyl)piperidin-4-yl]propanamide
CID 23723352
N-Cyclohexylmethyl-3-(3-hydroxy-phenyl)-2,2-dimethyl-3-methylamino-propionamide
CID 10245350
3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide
CID 17798971
3-(Cyclopropylmethyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-dimethyl-N-phenethyl-propionamide
CID 17798973
N-Benzyl-3-(3-hydroxy-phenyl)-2,2-dimethyl-3-methylamino-propionamide
CID 17798974
N-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2,2-dimethyl-3-methylamino-propionamide
CID 17798976
3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-(3-phenyl-propyl)-propionamide
CID 17798978
3-(Butyl-methyl-amino)-3-(3-hydroxy-phenyl)-2,2-dimethyl-N-phenethyl-propionamide
CID 44366280
N-[(3-hydroxyphenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446667
N-cyclopropyl-3-hydroxybenzamide
CID 28390689
N-[(3-hydroxyphenyl)methyl]nonanamide
CID 44315769
N-[2-[(3-hydroxyphenyl)methylamino]ethyl]-2-phenylacetamide
CID 53613622

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide (CID 81172925) is 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is NCC1(CC(=O)N(Cc2cccc(O)c2)C2CC2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
The InChIKey is XFQIFSYYQGMZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-12-17(7-2-8-17)10-16(21)19(14-5-6-14)11-13-3-1-4-15(20)9-13/h1,3-4,9,14,20H,2,5-8,10-12,18H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 81172925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).