(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide

C24H34F3N3O4 — CID 11431699

IUPAC(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
SMILESC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
InChIInChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
InChIKeyISASYAAYECPXSH-PKOBYXMFSA-N
MW485.55 g/mol
LogP3.95
Rot. Bonds10

About (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide

(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide (PubChem CID 11431699) has the molecular formula C24H34F3N3O4 and a molecular weight of 485.55 g/mol. Its IUPAC name is (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
PubChem CID11431699
Molecular FormulaC24H34F3N3O4
Molecular Weight485.55 g/mol
Exact Mass485.25
IUPAC Name(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide
SMILESC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1
InChIInChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1
InChIKeyISASYAAYECPXSH-PKOBYXMFSA-N
XLogP3.95
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide?
The IUPAC name of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide (CID 11431699) is (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide?
The canonical SMILES for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide is C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCC1.
What is the InChIKey of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide?
The InChIKey is ISASYAAYECPXSH-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H34F3N3O4/c1-17(16-28-20-6-8-21(9-7-20)34-24(25,26)27)29-23(32)19(14-18-4-2-3-5-18)15-22(31)30-10-12-33-13-11-30/h6-9,17-19,28H,2-5,10-16H2,1H3,(H,29,32)/t17-,19+/m0/s1.
What are the key properties of (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide?
(2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide has a molecular weight of 485.55 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide is sourced from PubChem (CID 11431699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).