N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

C27H36N2O5 — CID 132615219

IUPACN-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O5/c1-19-10-8-9-11-21(19)17-29(20(2)27(31)28-22-12-6-5-7-13-22)26(30)18-34-25-15-23(32-3)14-24(16-25)33-4/h8-11,14-16,20,22H,5-7,12-13,17-18H2,1-4H3,(H,28,31)
InChIKeyFZSPYMUZTJKHSC-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.26
Rot. Bonds10

About N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (PubChem CID 132615219) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
PubChem CID132615219
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC NameN-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
SMILESCOc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C27H36N2O5/c1-19-10-8-9-11-21(19)17-29(20(2)27(31)28-22-12-6-5-7-13-22)26(30)18-34-25-15-23(32-3)14-24(16-25)33-4/h8-11,14-16,20,22H,5-7,12-13,17-18H2,1-4H3,(H,28,31)
InChIKeyFZSPYMUZTJKHSC-UHFFFAOYSA-N
XLogP4.26
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132617876
N-cyclopentyl-2-[[2-(3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132985756
2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612046
2-[[2-(3-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132612030
2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132617735
N-tert-butyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132714680
N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132610377
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100558101
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100576302
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide (CID 132615219) is N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is COc1cc(OC)cc(OCC(=O)N(Cc2ccccc2C)C(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
The InChIKey is FZSPYMUZTJKHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-19-10-8-9-11-21(19)17-29(20(2)27(31)28-22-12-6-5-7-13-22)26(30)18-34-25-15-23(32-3)14-24(16-25)33-4/h8-11,14-16,20,22H,5-7,12-13,17-18H2,1-4H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide has a molecular weight of 468.59 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132615219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).