(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide

C18H26FN3O2 — CID 9251729

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-13(22(2)12-14-8-10-15(19)11-9-14)17(23)21-18(24)20-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,23,24)/t13-/m1/s1
InChIKeyMBJALYOJJWYAME-CYBMUJFWSA-N
MW335.42 g/mol
LogP2.80
Rot. Bonds5

About (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide

(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide (PubChem CID 9251729) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
PubChem CID9251729
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
SMILESC[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c1-13(22(2)12-14-8-10-15(19)11-9-14)17(23)21-18(24)20-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,23,24)/t13-/m1/s1
InChIKeyMBJALYOJJWYAME-CYBMUJFWSA-N
XLogP2.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-(cyclopentylcarbamoyl)propanamide
CID 18094197
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(cyclohexylcarbamoyl)propanamide
CID 22110920
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
2-[(2-bromophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 55354630
2-[(2-chlorophenyl)methyl-methylamino]-N-(cyclohexylcarbamoyl)propanamide
CID 46801701
2-[(4-chlorophenyl)methyl-methylamino]-N-cyclopentylpropanamide
CID 17485820
N-cyclohexyl-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132984690
N-cyclohexyl-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 132760851

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide (CID 9251729) is (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide is C[C@H](C(=O)NC(=O)NC1CCCCC1)N(C)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide?
The InChIKey is MBJALYOJJWYAME-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-13(22(2)12-14-8-10-15(19)11-9-14)17(23)21-18(24)20-16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3,(H2,20,21,23,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide has a molecular weight of 335.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 9251729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).