(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide

C19H25F3N2O4 — CID 23585604

IUPAC(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
SMILESCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O4/c1-24(14-5-3-2-4-6-14)18(28)16(26)15(25)17(27)23-11-12-7-9-13(10-8-12)19(20,21)22/h7-10,14-16,25-26H,2-6,11H2,1H3,(H,23,27)/t15-,16-/m1/s1
InChIKeyQUOYUNCEDWMMFD-HZPDHXFCSA-N
MW402.41 g/mol
LogP1.83
Rot. Bonds6

About (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide

(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide (PubChem CID 23585604) has the molecular formula C19H25F3N2O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide.

Molecular Properties

Compound Name(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
PubChem CID23585604
Molecular FormulaC19H25F3N2O4
Molecular Weight402.41 g/mol
Exact Mass402.18
IUPAC Name(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
SMILESCN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCCCC1
InChIInChI=1S/C19H25F3N2O4/c1-24(14-5-3-2-4-6-14)18(28)16(26)15(25)17(27)23-11-12-7-9-13(10-8-12)19(20,21)22/h7-10,14-16,25-26H,2-6,11H2,1H3,(H,23,27)/t15-,16-/m1/s1
InChIKeyQUOYUNCEDWMMFD-HZPDHXFCSA-N
XLogP1.83
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide with MolForge

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Related Compounds

2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
2-[methyl-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]amino]acetic acid
CID 62879277
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide
CID 66990631
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
3-amino-2-methyl-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880982
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
4-[(carbamoylamino)methyl]-N-cyclopentyl-N-methylbenzamide
CID 47128703
(2R,3R)-4-[4-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]azepan-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 143478409
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110895460

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The IUPAC name of (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide (CID 23585604) is (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide.
What is the SMILES notation for (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The canonical SMILES for (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide is CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCCCC1.
What is the InChIKey of (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
The InChIKey is QUOYUNCEDWMMFD-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25F3N2O4/c1-24(14-5-3-2-4-6-14)18(28)16(26)15(25)17(27)23-11-12-7-9-13(10-8-12)19(20,21)22/h7-10,14-16,25-26H,2-6,11H2,1H3,(H,23,27)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide?
(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide has a molecular weight of 402.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide is sourced from PubChem (CID 23585604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).