(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide

C19H28F3N3O2 — CID 69194385

IUPAC(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide
SMILESC[C@@H](CNc1cccc(OC(F)(F)F)c1)NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C19H28F3N3O2/c1-13(25-18(26)17(23)10-14-6-3-2-4-7-14)12-24-15-8-5-9-16(11-15)27-19(20,21)22/h5,8-9,11,13-14,17,24H,2-4,6-7,10,12,23H2,1H3,(H,25,26)/t13-,17-/m0/s1
InChIKeyRIPWQSSQPGLJLI-GUYCJALGSA-N
MW387.45 g/mol
LogP3.80
Rot. Bonds8

About (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide

(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide (PubChem CID 69194385) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide
PubChem CID69194385
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide
SMILESC[C@@H](CNc1cccc(OC(F)(F)F)c1)NC(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C19H28F3N3O2/c1-13(25-18(26)17(23)10-14-6-3-2-4-7-14)12-24-15-8-5-9-16(11-15)27-19(20,21)22/h5,8-9,11,13-14,17,24H,2-4,6-7,10,12,23H2,1H3,(H,25,26)/t13-,17-/m0/s1
InChIKeyRIPWQSSQPGLJLI-GUYCJALGSA-N
XLogP3.80
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide (CID 69194385) is (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide is C[C@@H](CNc1cccc(OC(F)(F)F)c1)NC(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide?
The InChIKey is RIPWQSSQPGLJLI-GUYCJALGSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-13(25-18(26)17(23)10-14-6-3-2-4-7-14)12-24-15-8-5-9-16(11-15)27-19(20,21)22/h5,8-9,11,13-14,17,24H,2-4,6-7,10,12,23H2,1H3,(H,25,26)/t13-,17-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide?
(2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide has a molecular weight of 387.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclohexyl-N-[(2S)-1-[3-(trifluoromethoxy)anilino]propan-2-yl]propanamide is sourced from PubChem (CID 69194385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).