2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C15H22N2O2 — CID 81172884

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESNCC1(CC(=O)NC2CCCc3occc32)CCC1
InChIInChI=1S/C15H22N2O2/c16-10-15(6-2-7-15)9-14(18)17-12-3-1-4-13-11(12)5-8-19-13/h5,8,12H,1-4,6-7,9-10,16H2,(H,17,18)
InChIKeySWAALIFHYNSVEY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 81172884) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID81172884
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESNCC1(CC(=O)NC2CCCc3occc32)CCC1
InChIInChI=1S/C15H22N2O2/c16-10-15(6-2-7-15)9-14(18)17-12-3-1-4-13-11(12)5-8-19-13/h5,8,12H,1-4,6-7,9-10,16H2,(H,17,18)
InChIKeySWAALIFHYNSVEY-UHFFFAOYSA-N
XLogP2.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)ethyl]cyclopentane-1-carboxylic acid
CID 60940744
2-(prop-2-ynylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 79287688
2-[1-(aminomethyl)cyclohexyl]-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 122081100
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
CID 115294623
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
4-[3-oxo-3-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)propyl]benzoic acid
CID 75513274
1-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 99835825
2-(1,2-benzoxazol-3-yl)-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]acetamide
CID 99608651

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 81172884) is 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is NCC1(CC(=O)NC2CCCc3occc32)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is SWAALIFHYNSVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-10-15(6-2-7-15)9-14(18)17-12-3-1-4-13-11(12)5-8-19-13/h5,8,12H,1-4,6-7,9-10,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.29, 4 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-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 81172884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).