N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

C27H36N2O4 — CID 132613112

IUPACN-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)COc2cccc(C)c2C)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H36N2O4/c1-19-9-8-12-25(20(19)2)33-18-26(30)29(17-22-13-15-24(32-4)16-14-22)21(3)27(31)28-23-10-6-5-7-11-23/h8-9,12-16,21,23H,5-7,10-11,17-18H2,1-4H3,(H,28,31)
InChIKeyKMCJCVWVNWHIQV-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.56
Rot. Bonds9

About N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132613112) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID132613112
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)COc2cccc(C)c2C)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H36N2O4/c1-19-9-8-12-25(20(19)2)33-18-26(30)29(17-22-13-15-24(32-4)16-14-22)21(3)27(31)28-23-10-6-5-7-11-23/h8-9,12-16,21,23H,5-7,10-11,17-18H2,1-4H3,(H,28,31)
InChIKeyKMCJCVWVNWHIQV-UHFFFAOYSA-N
XLogP4.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100600972
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
(2R)-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516332
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]propanamide
CID 132610225
N-cyclopentyl-2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611548
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-cyclopentyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611550
N-cyclopentyl-2-[[2-(3,5-dimethoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132615458
2-[(2-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132613728
(2R)-N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100548875
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]propanamide
CID 132613159
(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (CID 132613112) is N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C(=O)COc2cccc(C)c2C)C(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is KMCJCVWVNWHIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-19-9-8-12-25(20(19)2)33-18-26(30)29(17-22-13-15-24(32-4)16-14-22)21(3)27(31)28-23-10-6-5-7-11-23/h8-9,12-16,21,23H,5-7,10-11,17-18H2,1-4H3,(H,28,31).
What are the key properties of N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 452.60 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132613112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).