2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide

C17H24N2O2 — CID 104677727

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(7-2-1-3-8-17)11-16(20)19-14-4-5-15-13(10-14)6-9-21-15/h4-5,10H,1-3,6-9,11-12,18H2,(H,19,20)
InChIKeyMOIVIDCHEGMTRS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.86
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide (PubChem CID 104677727) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
PubChem CID104677727
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C17H24N2O2/c18-12-17(7-2-1-3-8-17)11-16(20)19-14-4-5-15-13(10-14)6-9-21-15/h4-5,10H,1-3,6-9,11-12,18H2,(H,19,20)
InChIKeyMOIVIDCHEGMTRS-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]cyclohexyl]acetate
CID 7440488
7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
CID 119728510
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide (CID 104677727) is 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide is NCC1(CC(=O)Nc2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
The InChIKey is MOIVIDCHEGMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-12-17(7-2-1-3-8-17)11-16(20)19-14-4-5-15-13(10-14)6-9-21-15/h4-5,10H,1-3,6-9,11-12,18H2,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide is sourced from PubChem (CID 104677727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).