N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide

C19H28N2O2 — CID 119129103

IUPACN-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
SMILESCC1(C)Cc2cc(CNCC(=O)NC3CCCCC3)ccc2O1
InChIInChI=1S/C19H28N2O2/c1-19(2)11-15-10-14(8-9-17(15)23-19)12-20-13-18(22)21-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11-13H2,1-2H3,(H,21,22)
InChIKeyOMLIHBAFZDMTHG-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.94
Rot. Bonds5

About N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide

N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide (PubChem CID 119129103) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
PubChem CID119129103
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
SMILESCC1(C)Cc2cc(CNCC(=O)NC3CCCCC3)ccc2O1
InChIInChI=1S/C19H28N2O2/c1-19(2)11-15-10-14(8-9-17(15)23-19)12-20-13-18(22)21-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11-13H2,1-2H3,(H,21,22)
InChIKeyOMLIHBAFZDMTHG-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]prop-2-en-1-amine
CID 115645149
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
CID 115614318
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
CID 56912716
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
3-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]methyl]-N-methylbenzamide
CID 119121779
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 63270799

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide (CID 119129103) is N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide is CC1(C)Cc2cc(CNCC(=O)NC3CCCCC3)ccc2O1.
What is the InChIKey of N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide?
The InChIKey is OMLIHBAFZDMTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2)11-15-10-14(8-9-17(15)23-19)12-20-13-18(22)21-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11-13H2,1-2H3,(H,21,22).
What are the key properties of N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide?
N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide is sourced from PubChem (CID 119129103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).