[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

C25H37N3O6 — CID 166748844

IUPAC[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(=O)NC(CO)CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H37N3O6/c29-17-20(26-24(31)21(27-25(32)33)15-18-7-3-1-4-8-18)11-12-23(30)28-13-14-34-22(16-28)19-9-5-2-6-10-19/h2,5-6,9-10,18,20-22,27,29H,1,3-4,7-8,11-17H2,(H,26,31)(H,32,33)
InChIKeyYKORNGAMTLQMSA-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.45
Rot. Bonds10

About [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid

[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 166748844) has the molecular formula C25H37N3O6 and a molecular weight of 475.59 g/mol. Its IUPAC name is [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID166748844
Molecular FormulaC25H37N3O6
Molecular Weight475.59 g/mol
Exact Mass475.27
IUPAC Name[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)NC(CC1CCCCC1)C(=O)NC(CO)CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C25H37N3O6/c29-17-20(26-24(31)21(27-25(32)33)15-18-7-3-1-4-8-18)11-12-23(30)28-13-14-34-22(16-28)19-9-5-2-6-10-19/h2,5-6,9-10,18,20-22,27,29H,1,3-4,7-8,11-17H2,(H,26,31)(H,32,33)
InChIKeyYKORNGAMTLQMSA-UHFFFAOYSA-N
XLogP2.45
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (CID 166748844) is [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is O=C(O)NC(CC1CCCCC1)C(=O)NC(CO)CCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is YKORNGAMTLQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O6/c29-17-20(26-24(31)21(27-25(32)33)15-18-7-3-1-4-8-18)11-12-23(30)28-13-14-34-22(16-28)19-9-5-2-6-10-19/h2,5-6,9-10,18,20-22,27,29H,1,3-4,7-8,11-17H2,(H,26,31)(H,32,33).
What are the key properties of [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid?
[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 475.59 g/mol, XLogP of 2.45, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 166748844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).