(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide

C23H34FN3O3 — CID 11396020

IUPAC(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(NCCNc1ccc(F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
InChIKeyPCPRFWRYDRLZKD-LJQANCHMSA-N
MW419.54 g/mol
LogP3.19
Rot. Bonds9

About (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide

(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 11396020) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID11396020
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(NCCNc1ccc(F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1
InChIKeyPCPRFWRYDRLZKD-LJQANCHMSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 11396020) is (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(NCCNc1ccc(F)cc1)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is PCPRFWRYDRLZKD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-23(29)19(16-18-4-2-1-3-5-18)17-22(28)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,29)/t19-/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
(2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 419.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 11396020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).