2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide

C24H30N2O4 — CID 1012632

IUPAC2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-17-7-11-19(12-8-17)29-15-23(27)25-21-5-3-4-6-22(21)26-24(28)16-30-20-13-9-18(2)10-14-20/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1
InChIKeyYOQYTRGMYXLWAG-VXKWHMMOSA-N
MW410.51 g/mol
LogP3.30
Rot. Bonds8

About 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide

2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide (PubChem CID 1012632) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
PubChem CID1012632
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-17-7-11-19(12-8-17)29-15-23(27)25-21-5-3-4-6-22(21)26-24(28)16-30-20-13-9-18(2)10-14-20/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1
InChIKeyYOQYTRGMYXLWAG-VXKWHMMOSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840542
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
2-(3,5-dimethylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2712790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide (CID 1012632) is 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide is Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
The InChIKey is YOQYTRGMYXLWAG-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17-7-11-19(12-8-17)29-15-23(27)25-21-5-3-4-6-22(21)26-24(28)16-30-20-13-9-18(2)10-14-20/h7-14,21-22H,3-6,15-16H2,1-2H3,(H,25,27)(H,26,28)/t21-,22-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide?
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 1012632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).