2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

C16H23FN2O2 — CID 81171953

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC2(CN)CCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(12-4-5-14(21-2)13(17)8-12)19-15(20)9-16(10-18)6-3-7-16/h4-5,8,11H,3,6-7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyHQGPSUNXVBSGBZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (PubChem CID 81171953) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
PubChem CID81171953
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)CC2(CN)CCC2)cc1F
InChIInChI=1S/C16H23FN2O2/c1-11(12-4-5-14(21-2)13(17)8-12)19-15(20)9-16(10-18)6-3-7-16/h4-5,8,11H,3,6-7,9-10,18H2,1-2H3,(H,19,20)
InChIKeyHQGPSUNXVBSGBZ-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 81349203
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
5-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62966105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949949
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122569948
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 56871484
2-(4-acetylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200831
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122558401

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide (CID 81171953) is 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)CC2(CN)CCC2)cc1F.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HQGPSUNXVBSGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11(12-4-5-14(21-2)13(17)8-12)19-15(20)9-16(10-18)6-3-7-16/h4-5,8,11H,3,6-7,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.53, 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-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 81171953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).