N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide

C19H27FN2O2 — CID 132760851

IUPACN-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27FN2O2/c1-3-18(23)22(13-15-9-11-16(20)12-10-15)14(2)19(24)21-17-7-5-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,21,24)
InChIKeyVNSOLNGAIXWLEX-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.40
Rot. Bonds6

About N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide

N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide (PubChem CID 132760851) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
PubChem CID132760851
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC NameN-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27FN2O2/c1-3-18(23)22(13-15-9-11-16(20)12-10-15)14(2)19(24)21-17-7-5-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,21,24)
InChIKeyVNSOLNGAIXWLEX-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760515
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132985428
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100516413
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610793
N-cyclohexyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132610239
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[(4-fluorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132612351
2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132610789
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132985311
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132613164
N-cyclopentyl-2-[(2-fluorophenyl)methyl-propanoylamino]propanamide
CID 133198788
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 132614384

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The IUPAC name of N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide (CID 132760851) is N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide is CCC(=O)N(Cc1ccc(F)cc1)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
The InChIKey is VNSOLNGAIXWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-3-18(23)22(13-15-9-11-16(20)12-10-15)14(2)19(24)21-17-7-5-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide?
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide has a molecular weight of 334.44 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide is sourced from PubChem (CID 132760851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).