N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide

C16H22N2O3 — CID 47022982

IUPACN-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-11-15(19)17-13-8-5-9-14(10-13)18-16(20)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyZYEQNSOHHXHMIM-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds5

About N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide

N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 47022982) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
PubChem CID47022982
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H22N2O3/c1-21-11-15(19)17-13-8-5-9-14(10-13)18-16(20)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyZYEQNSOHHXHMIM-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-(1-cyclohexylethylamino)phenyl]-2-methoxyacetamide
CID 43784509
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide (CID 47022982) is N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide is COCC(=O)Nc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is ZYEQNSOHHXHMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-11-15(19)17-13-8-5-9-14(10-13)18-16(20)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide?
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 47022982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).