2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide

C38H42N2O4 — CID 98389050

IUPAC2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2ccc(-c3ccccc3)cc2)C[C@](C)(CNC(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C38H42N2O4/c1-37(2)22-32(40-36(42)25-44-34-20-16-31(17-21-34)29-12-8-5-9-13-29)23-38(3,26-37)27-39-35(41)24-43-33-18-14-30(15-19-33)28-10-6-4-7-11-28/h4-21,32H,22-27H2,1-3H3,(H,39,41)(H,40,42)/t32-,38+/m1/s1
InChIKeyYSADWEJFMBJNTI-VZWFPNHASA-N
MW590.76 g/mol
LogP7.30
Rot. Bonds11

About 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide

2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide (PubChem CID 98389050) has the molecular formula C38H42N2O4 and a molecular weight of 590.76 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
PubChem CID98389050
Molecular FormulaC38H42N2O4
Molecular Weight590.76 g/mol
Exact Mass590.31
IUPAC Name2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide
SMILESCC1(C)C[C@@H](NC(=O)COc2ccc(-c3ccccc3)cc2)C[C@](C)(CNC(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C38H42N2O4/c1-37(2)22-32(40-36(42)25-44-34-20-16-31(17-21-34)29-12-8-5-9-13-29)23-38(3,26-37)27-39-35(41)24-43-33-18-14-30(15-19-33)28-10-6-4-7-11-28/h4-21,32H,22-27H2,1-3H3,(H,39,41)(H,40,42)/t32-,38+/m1/s1
InChIKeyYSADWEJFMBJNTI-VZWFPNHASA-N
XLogP7.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.76
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide with MolForge

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Related Compounds

2-phenoxy-N-[[(1R,5R)-1,3,3-trimethyl-5-[(2-phenoxyacetyl)amino]cyclohexyl]methyl]acetamide
CID 42564040
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
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
O-phenyl N-[[1,3,3-trimethyl-5-(phenylsulfanylcarbonylamino)cyclohexyl]methyl]carbamothioate
CID 140658764
2-(2-phenylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 8885763
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
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
[3-[[(2,6-dimethylphenoxy)carbothioylamino]methyl]-3,5,5-trimethylcyclohexyl]carbamic acid
CID 118643317

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide (CID 98389050) is 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide is CC1(C)C[C@@H](NC(=O)COc2ccc(-c3ccccc3)cc2)C[C@](C)(CNC(=O)COc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide?
The InChIKey is YSADWEJFMBJNTI-VZWFPNHASA-N. The full InChI is InChI=1S/C38H42N2O4/c1-37(2)22-32(40-36(42)25-44-34-20-16-31(17-21-34)29-12-8-5-9-13-29)23-38(3,26-37)27-39-35(41)24-43-33-18-14-30(15-19-33)28-10-6-4-7-11-28/h4-21,32H,22-27H2,1-3H3,(H,39,41)(H,40,42)/t32-,38+/m1/s1.
What are the key properties of 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide?
2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide has a molecular weight of 590.76 g/mol, XLogP of 7.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[2-(4-phenylphenoxy)acetyl]amino]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).