2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide

C18H26N2O4 — CID 96532684

IUPAC2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H26N2O4/c1-13-6-3-4-9-16(13)24-12-18(22)20-15-8-5-7-14(10-15)19-17(21)11-23-2/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1
InChIKeyGNJFHIMXXZWUPL-BBRMVZONSA-N
MW334.42 g/mol
LogP2.81
Rot. Bonds7

About 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide

2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide (PubChem CID 96532684) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
PubChem CID96532684
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H26N2O4/c1-13-6-3-4-9-16(13)24-12-18(22)20-15-8-5-7-14(10-15)19-17(21)11-23-2/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1
InChIKeyGNJFHIMXXZWUPL-BBRMVZONSA-N
XLogP2.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
2-[(1R,2S)-2-methylcyclohexyl]oxy-N-[3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 99705162
2-[(1S,2R)-2-methylcyclohexyl]oxy-N-[3-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetamide
CID 99705166
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 96532780
N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 99718479
N-[3-(1-cyclopropylethylamino)phenyl]-2-methoxyacetamide
CID 43713200

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide (CID 96532684) is 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide is COCC(=O)Nc1cccc(NC(=O)CO[C@H]2CCCC[C@@H]2C)c1.
What is the InChIKey of 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide?
The InChIKey is GNJFHIMXXZWUPL-BBRMVZONSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-6-3-4-9-16(13)24-12-18(22)20-15-8-5-7-14(10-15)19-17(21)11-23-2/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1.
What are the key properties of 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide?
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide is sourced from PubChem (CID 96532684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).