N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

C22H29F3N2O3 — CID 15987397

IUPACN-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(CCC(N)=O)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-21(30,22(23,24)25)16-7-5-15(6-8-16)20(29)27(18-11-12-18)17-9-2-14(3-10-17)4-13-19(26)28/h5-8,14,17-18,30H,2-4,9-13H2,1H3,(H2,26,28)/t14?,17?,21-/m0/s1
InChIKeyPASMOZGIQBLURM-FXMMLYEBSA-N
MW426.48 g/mol
LogP3.89
Rot. Bonds7

About N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide

N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (PubChem CID 15987397) has the molecular formula C22H29F3N2O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
PubChem CID15987397
Molecular FormulaC22H29F3N2O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC NameN-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
SMILESC[C@](O)(c1ccc(C(=O)N(C2CCC(CCC(N)=O)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C22H29F3N2O3/c1-21(30,22(23,24)25)16-7-5-15(6-8-16)20(29)27(18-11-12-18)17-9-2-14(3-10-17)4-13-19(26)28/h5-8,14,17-18,30H,2-4,9-13H2,1H3,(H2,26,28)/t14?,17?,21-/m0/s1
InChIKeyPASMOZGIQBLURM-FXMMLYEBSA-N
XLogP3.89
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The IUPAC name of N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide (CID 15987397) is N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is C[C@](O)(c1ccc(C(=O)N(C2CCC(CCC(N)=O)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
The InChIKey is PASMOZGIQBLURM-FXMMLYEBSA-N. The full InChI is InChI=1S/C22H29F3N2O3/c1-21(30,22(23,24)25)16-7-5-15(6-8-16)20(29)27(18-11-12-18)17-9-2-14(3-10-17)4-13-19(26)28/h5-8,14,17-18,30H,2-4,9-13H2,1H3,(H2,26,28)/t14?,17?,21-/m0/s1.
What are the key properties of N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide?
N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide has a molecular weight of 426.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropyl)cyclohexyl]-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 15987397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).