N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide

C22H28N2O2 — CID 112983566

IUPACN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-6-17(16-21)14-15-23-19-10-12-20(13-11-19)24-22(25)18-7-3-2-4-8-18/h5-6,9-13,16,18,23H,2-4,7-8,14-15H2,1H3,(H,24,25)
InChIKeyRDXXULZURPFDRF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.87
Rot. Bonds7

About N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide (PubChem CID 112983566) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
PubChem CID112983566
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCNc2ccc(NC(=O)C3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-6-17(16-21)14-15-23-19-10-12-20(13-11-19)24-22(25)18-7-3-2-4-8-18/h5-6,9-13,16,18,23H,2-4,7-8,14-15H2,1H3,(H,24,25)
InChIKeyRDXXULZURPFDRF-UHFFFAOYSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
1-cyclohexyl-3-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]urea
CID 112983603
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
4-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]aniline
CID 166807516
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]-2-(3-methylphenyl)acetamide
CID 112983600
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-cycloheptyl-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214453
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide (CID 112983566) is N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide is COc1cccc(CCNc2ccc(NC(=O)C3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide?
The InChIKey is RDXXULZURPFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-5-6-17(16-21)14-15-23-19-10-12-20(13-11-19)24-22(25)18-7-3-2-4-8-18/h5-6,9-13,16,18,23H,2-4,7-8,14-15H2,1H3,(H,24,25).
What are the key properties of N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide?
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112983566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).