N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide

C35H44N4O5 — CID 161143969

IUPACN-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1nc([C@@H]2C(c3cccc4c3CCO4)C2(C)C)c(C)[nH]1.CON(C)C(=O)[C@@H]1C(c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C19H23N3O2.C16H21NO3/c1-10-17(22-18(20-10)21-11(2)23)16-15(19(16,3)4)13-6-5-7-14-12(13)8-9-24-14;1-16(2)13(14(16)15(18)17(3)19-4)11-6-5-7-12-10(11)8-9-20-12/h5-7,15-16H,8-9H2,1-4H3,(H2,20,21,22,23);5-7,13-14H,8-9H2,1-4H3/t15?,16-;13?,14-/m00/s1
InChIKeyUNUOXWCQBJGAAK-QTTSHPELSA-N
MW600.76 g/mol
LogP5.90
Rot. Bonds6

About N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide

N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 161143969) has the molecular formula C35H44N4O5 and a molecular weight of 600.76 g/mol. Its IUPAC name is N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID161143969
Molecular FormulaC35H44N4O5
Molecular Weight600.76 g/mol
Exact Mass600.33
IUPAC NameN-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1nc([C@@H]2C(c3cccc4c3CCO4)C2(C)C)c(C)[nH]1.CON(C)C(=O)[C@@H]1C(c2cccc3c2CCO3)C1(C)C
InChIInChI=1S/C19H23N3O2.C16H21NO3/c1-10-17(22-18(20-10)21-11(2)23)16-15(19(16,3)4)13-6-5-7-14-12(13)8-9-24-14;1-16(2)13(14(16)15(18)17(3)19-4)11-6-5-7-12-10(11)8-9-20-12/h5-7,15-16H,8-9H2,1-4H3,(H2,20,21,22,23);5-7,13-14H,8-9H2,1-4H3/t15?,16-;13?,14-/m00/s1
InChIKeyUNUOXWCQBJGAAK-QTTSHPELSA-N
XLogP5.90
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide (CID 161143969) is N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide is CC(=O)Nc1nc([C@@H]2C(c3cccc4c3CCO4)C2(C)C)c(C)[nH]1.CON(C)C(=O)[C@@H]1C(c2cccc3c2CCO3)C1(C)C.
What is the InChIKey of N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is UNUOXWCQBJGAAK-QTTSHPELSA-N. The full InChI is InChI=1S/C19H23N3O2.C16H21NO3/c1-10-17(22-18(20-10)21-11(2)23)16-15(19(16,3)4)13-6-5-7-14-12(13)8-9-24-14;1-16(2)13(14(16)15(18)17(3)19-4)11-6-5-7-12-10(11)8-9-20-12/h5-7,15-16H,8-9H2,1-4H3,(H2,20,21,22,23);5-7,13-14H,8-9H2,1-4H3/t15?,16-;13?,14-/m00/s1.
What are the key properties of N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide?
N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 600.76 g/mol, XLogP of 5.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]-5-methyl-1H-imidazol-2-yl]acetamide;(1R)-3-(2,3-dihydro-1-benzofuran-4-yl)-N-methoxy-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 161143969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).