[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate

C26H38F3N3O5 — CID 23648374

IUPAC[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate
SMILESCCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1
InChIKeyIHLPNVVXUCBVBS-GMAHTHKFSA-N
MW529.60 g/mol
LogP5.09
Rot. Bonds11

About [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate (PubChem CID 23648374) has the molecular formula C26H38F3N3O5 and a molecular weight of 529.60 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate
PubChem CID23648374
Molecular FormulaC26H38F3N3O5
Molecular Weight529.60 g/mol
Exact Mass529.28
IUPAC Name[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate
SMILESCCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChIInChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1
InChIKeyIHLPNVVXUCBVBS-GMAHTHKFSA-N
XLogP5.09
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Succinamide peptidomimetic, 12
CID 11156785
Succinamide peptidomimetic, 15
CID 11157631
Succinamide peptidomimetic, 16
CID 11157632
Succinamide peptidomimetic, 26
CID 11168385
Succinamide peptidomimetic, 27
CID 11168613
Succinamide peptidomimetic, 32
CID 11180007
Succinamide peptidomimetic, 19
CID 11191512
Succinamide peptidomimetic, 34
CID 11203484
Succinamide peptidomimetic, 9
CID 11225780
Succinamide peptidomimetic, 22
CID 11250282
Succinamide peptidomimetic, 14
CID 11261516
Succinamide peptidomimetic, 31
CID 11283547

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate (CID 23648374) is [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate is CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate?
The InChIKey is IHLPNVVXUCBVBS-GMAHTHKFSA-N. The full InChI is InChI=1S/C26H38F3N3O5/c1-2-6-21(18-30-20-9-11-22(12-10-20)37-26(27,28)29)31-25(34)36-23(17-19-7-4-3-5-8-19)24(33)32-13-15-35-16-14-32/h9-12,19,21,23,30H,2-8,13-18H2,1H3,(H,31,34)/t21-,23-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate has a molecular weight of 529.60 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-[4-(trifluoromethoxy)anilino]pentan-2-yl]carbamate is sourced from PubChem (CID 23648374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).