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

C22H34N2O3 — CID 108541528

IUPAC3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C22H34N2O3/c1-16-9-10-17(2)22(18(16)3)27-15-21(26)24-14-13-23-20(25)12-11-19-7-5-4-6-8-19/h9-10,19H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNQUMCXKMRSKJCI-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.58
Rot. Bonds9

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

3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide (PubChem CID 108541528) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
PubChem CID108541528
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)CCC2CCCCC2)c1C
InChIInChI=1S/C22H34N2O3/c1-16-9-10-17(2)22(18(16)3)27-15-21(26)24-14-13-23-20(25)12-11-19-7-5-4-6-8-19/h9-10,19H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNQUMCXKMRSKJCI-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538932
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
3-cyclohexyl-N-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108539833
tert-butyl N-[3-oxo-3-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethylamino]propyl]carbamate
CID 108919090
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572762
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891
3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 3672068
2-(3-amino-2,6-dimethylphenoxy)-N-cyclohexylacetamide
CID 62018877
N-(2-pyrrolidin-1-ylsulfonylethyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 50978956
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide (CID 108541528) is 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide is Cc1ccc(C)c(OCC(=O)NCCNC(=O)CCC2CCCCC2)c1C.
What is the InChIKey of 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide?
The InChIKey is NQUMCXKMRSKJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16-9-10-17(2)22(18(16)3)27-15-21(26)24-14-13-23-20(25)12-11-19-7-5-4-6-8-19/h9-10,19H,4-8,11-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide?
3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide has a molecular weight of 374.53 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108541528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).