N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide

C20H30N2O3 — CID 108538932

IUPACN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCCC2)c1C
InChIInChI=1S/C20H30N2O3/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRYVHQJTXUKLBMY-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.80
Rot. Bonds7

About N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide

N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide (PubChem CID 108538932) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
PubChem CID108538932
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCCC2)c1C
InChIInChI=1S/C20H30N2O3/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRYVHQJTXUKLBMY-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 50978956
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572762
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55806512
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
tert-butyl N-[3-oxo-3-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethylamino]propyl]carbamate
CID 108919090
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541512
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide (CID 108538932) is N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide is Cc1ccc(C)c(OCC(=O)NCCNC(=O)C2CCCCC2)c1C.
What is the InChIKey of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
The InChIKey is RYVHQJTXUKLBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)17-7-5-4-6-8-17/h9-10,17H,4-8,11-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide?
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 108538932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).