2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide

C26H34N2O4 — CID 42564040

IUPAC2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2ccccc2)C[C@](C)(CNC(=O)COc2ccccc2)C1
InChIInChI=1S/C26H34N2O4/c1-25(2)14-20(28-24(30)17-32-22-12-8-5-9-13-22)15-26(3,18-25)19-27-23(29)16-31-21-10-6-4-7-11-21/h4-13,20H,14-19H2,1-3H3,(H,27,29)(H,28,30)/t20-,26+/m1/s1
InChIKeyACZFMLYUNUPEFO-IBVKSMDESA-N
MW438.57 g/mol
LogP3.96
Rot. Bonds9

About 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide

2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide (PubChem CID 42564040) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
PubChem CID42564040
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2ccccc2)C[C@](C)(CNC(=O)COc2ccccc2)C1
InChIInChI=1S/C26H34N2O4/c1-25(2)14-20(28-24(30)17-32-22-12-8-5-9-13-22)15-26(3,18-25)19-27-23(29)16-31-21-10-6-4-7-11-21/h4-13,20H,14-19H2,1-3H3,(H,27,29)(H,28,30)/t20-,26+/m1/s1
InChIKeyACZFMLYUNUPEFO-IBVKSMDESA-N
XLogP3.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide 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

2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
CID 98389050
2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 25359572
2-[[1,3,3-trimethyl-5-(2-phenoxyethoxycarbonylamino)cyclohexyl]methylcarbamoylamino]acetic acid
CID 118911933
phenyl N-[(5-benzamido-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 121431628
O-phenyl N-[[1,3,3-trimethyl-5-(phenylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
CID 140658764
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
1-pyridin-2-yl-3-[[(1R,5R)-1,3,3-trimethyl-5-(pyridin-2-ylcarbamoylamino)cyclohexyl]methyl]urea
CID 40518124
[3-[[(2,6-dimethylphenoxy)carbothioylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 118643317
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
CID 124530236
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
(2-propylphenyl) N-[[3,3,5-trimethyl-5-[[(2-propylphenoxy)carbonylamino]methyl]cyclohexyl]amino]carbamate
CID 150416281

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide (CID 42564040) is 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide is CC1(C)C[C@@H](NC(=O)COc2ccccc2)C[C@](C)(CNC(=O)COc2ccccc2)C1.
What is the InChIKey of 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide?
The InChIKey is ACZFMLYUNUPEFO-IBVKSMDESA-N. The full InChI is InChI=1S/C26H34N2O4/c1-25(2)14-20(28-24(30)17-32-22-12-8-5-9-13-22)15-26(3,18-25)19-27-23(29)16-31-21-10-6-4-7-11-21/h4-13,20H,14-19H2,1-3H3,(H,27,29)(H,28,30)/t20-,26+/m1/s1.
What are the key properties of 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide?
2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 42564040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).