1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C34H48F2N2O5 — CID 69207159

IUPAC1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)COC2CCCCC2)c1CC
InChIInChI=1S/C34H48F2N2O5/c1-5-13-38(14-6-2)34(42)29-16-22(4)15-28(27(29)7-3)33(41)37-30(19-23-17-24(35)20-25(36)18-23)32(40)31(39)21-43-26-11-9-8-10-12-26/h15-18,20,26,30-32,39-40H,5-14,19,21H2,1-4H3,(H,37,41)/t30-,31+,32+/m0/s1
InChIKeyGZRGNZXNYKACGN-DCMFLLSESA-N
MW602.76 g/mol
LogP5.51
Rot. Bonds15

About 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 69207159) has the molecular formula C34H48F2N2O5 and a molecular weight of 602.76 g/mol. Its IUPAC name is 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID69207159
Molecular FormulaC34H48F2N2O5
Molecular Weight602.76 g/mol
Exact Mass602.35
IUPAC Name1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)COC2CCCCC2)c1CC
InChIInChI=1S/C34H48F2N2O5/c1-5-13-38(14-6-2)34(42)29-16-22(4)15-28(27(29)7-3)33(41)37-30(19-23-17-24(35)20-25(36)18-23)32(40)31(39)21-43-26-11-9-8-10-12-26/h15-18,20,26,30-32,39-40H,5-14,19,21H2,1-4H3,(H,37,41)/t30-,31+,32+/m0/s1
InChIKeyGZRGNZXNYKACGN-DCMFLLSESA-N
XLogP5.51
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 69207159) is 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@@H](O)[C@H](O)COC2CCCCC2)c1CC.
What is the InChIKey of 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is GZRGNZXNYKACGN-DCMFLLSESA-N. The full InChI is InChI=1S/C34H48F2N2O5/c1-5-13-38(14-6-2)34(42)29-16-22(4)15-28(27(29)7-3)33(41)37-30(19-23-17-24(35)20-25(36)18-23)32(40)31(39)21-43-26-11-9-8-10-12-26/h15-18,20,26,30-32,39-40H,5-14,19,21H2,1-4H3,(H,37,41)/t30-,31+,32+/m0/s1.
What are the key properties of 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 602.76 g/mol, XLogP of 5.51, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2S,3R,4R)-5-cyclohexyloxy-1-(3,5-difluorophenyl)-3,4-dihydroxypentan-2-yl]-2-ethyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 69207159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).