N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

C28H31FN2O3 — CID 133174875

IUPACN-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H31FN2O3/c1-20(28(33)30-23-13-3-2-4-14-23)31(18-22-11-6-8-16-25(22)29)27(32)19-34-26-17-9-12-21-10-5-7-15-24(21)26/h5-12,15-17,20,23H,2-4,13-14,18-19H2,1H3,(H,30,33)
InChIKeyRSQKPJMKUSKGCL-UHFFFAOYSA-N
MW462.57 g/mol
LogP5.22
Rot. Bonds8

About N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide

N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (PubChem CID 133174875) has the molecular formula C28H31FN2O3 and a molecular weight of 462.57 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
PubChem CID133174875
Molecular FormulaC28H31FN2O3
Molecular Weight462.57 g/mol
Exact Mass462.23
IUPAC NameN-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H31FN2O3/c1-20(28(33)30-23-13-3-2-4-14-23)31(18-22-11-6-8-16-25(22)29)27(32)19-34-26-17-9-12-21-10-5-7-15-24(21)26/h5-12,15-17,20,23H,2-4,13-14,18-19H2,1H3,(H,30,33)
InChIKeyRSQKPJMKUSKGCL-UHFFFAOYSA-N
XLogP5.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 132614384
(2S)-N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559346
N-cyclohexyl-2-[[2-(2-fluorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132610377
(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide
CID 100569652
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]propanamide
CID 133174936
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100559703
(2R)-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100558101
2-[[2-(4-bromophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174873
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]propanamide
CID 133174912
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
2-[[2-(3-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174937

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide (CID 133174875) is N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)COc1cccc2ccccc12.
What is the InChIKey of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
The InChIKey is RSQKPJMKUSKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O3/c1-20(28(33)30-23-13-3-2-4-14-23)31(18-22-11-6-8-16-25(22)29)27(32)19-34-26-17-9-12-21-10-5-7-15-24(21)26/h5-12,15-17,20,23H,2-4,13-14,18-19H2,1H3,(H,30,33).
What are the key properties of N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide?
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide has a molecular weight of 462.57 g/mol, XLogP of 5.22, 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-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide is sourced from PubChem (CID 133174875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).