N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

C25H31FN2O3 — CID 132610381

IUPACN-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(25(30)27-21-9-4-3-5-10-21)28(17-19-12-14-22(31-2)15-13-19)24(29)16-20-8-6-7-11-23(20)26/h6-8,11-15,18,21H,3-5,9-10,16-17H2,1-2H3,(H,27,30)
InChIKeyFFIPRFHBXZWHLL-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.24
Rot. Bonds8

About N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132610381) has the molecular formula C25H31FN2O3 and a molecular weight of 426.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID132610381
Molecular FormulaC25H31FN2O3
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC NameN-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H31FN2O3/c1-18(25(30)27-21-9-4-3-5-10-21)28(17-19-12-14-22(31-2)15-13-19)24(29)16-20-8-6-7-11-23(20)26/h6-8,11-15,18,21H,3-5,9-10,16-17H2,1-2H3,(H,27,30)
InChIKeyFFIPRFHBXZWHLL-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100515547
N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132984667
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-cyclopentyl-2-[[2-[(2-fluorophenyl)methylsulfanyl]acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132613820
2-[[2-(2-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132610630
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
(2R)-N-cyclohexyl-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100516508
(2S)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 100501441
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132611313

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (CID 132610381) is N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is COc1ccc(CN(C(=O)Cc2ccccc2F)C(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is FFIPRFHBXZWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O3/c1-18(25(30)27-21-9-4-3-5-10-21)28(17-19-12-14-22(31-2)15-13-19)24(29)16-20-8-6-7-11-23(20)26/h6-8,11-15,18,21H,3-5,9-10,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 426.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132610381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).