(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide

C26H32Cl2N2O4 — CID 100576031

IUPAC(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C26H32Cl2N2O4/c1-3-22(26(32)29-19-9-5-4-6-10-19)30(16-18-13-14-20(27)21(28)15-18)25(31)17-34-24-12-8-7-11-23(24)33-2/h7-8,11-15,19,22H,3-6,9-10,16-17H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyMNLLMUUAFMWITO-JOCHJYFZSA-N
MW507.46 g/mol
LogP5.64
Rot. Bonds10

About (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide

(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide (PubChem CID 100576031) has the molecular formula C26H32Cl2N2O4 and a molecular weight of 507.46 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
PubChem CID100576031
Molecular FormulaC26H32Cl2N2O4
Molecular Weight507.46 g/mol
Exact Mass506.17
IUPAC Name(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC
InChIInChI=1S/C26H32Cl2N2O4/c1-3-22(26(32)29-19-9-5-4-6-10-19)30(16-18-13-14-20(27)21(28)15-18)25(31)17-34-24-12-8-7-11-23(24)33-2/h7-8,11-15,19,22H,3-6,9-10,16-17H2,1-2H3,(H,29,32)/t22-/m1/s1
InChIKeyMNLLMUUAFMWITO-JOCHJYFZSA-N
XLogP5.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132623087
(2S)-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 100590225
2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 132676886
(2S)-N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100535664
N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
CID 132725334
(2S)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide
CID 100569490
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 132621982
N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]butanamide
CID 132636157
(2S)-2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100580432
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100649500
N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132613118
2-[[2-(4-chloro-3-methylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132620900

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide (CID 100576031) is (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide is CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1OC.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide?
The InChIKey is MNLLMUUAFMWITO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32Cl2N2O4/c1-3-22(26(32)29-19-9-5-4-6-10-19)30(16-18-13-14-20(27)21(28)15-18)25(31)17-34-24-12-8-7-11-23(24)33-2/h7-8,11-15,19,22H,3-6,9-10,16-17H2,1-2H3,(H,29,32)/t22-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide?
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide has a molecular weight of 507.46 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]butanamide is sourced from PubChem (CID 100576031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).