2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride

C42H50Cl2N6O4 — CID 169425788

IUPAC2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCC(CCc3ccc4ccccc4c3)CC2)c2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C42H48N6O4.2ClH/c1-42(2,43)41(51)45-36(28-52-27-32-11-5-3-6-12-32)39(49)46-37-26-48(29-44-37)38(34-14-7-4-8-15-34)40(50)47-23-21-30(22-24-47)17-18-31-19-20-33-13-9-10-16-35(33)25-31;;/h3-16,19-20,25-26,29-30,36,38H,17-18,21-24,27-28,43H2,1-2H3,(H,45,51)(H,46,49);2*1H/t36-,38?;;/m1../s1
InChIKeyRWQZFKNXAZTIPZ-UULLLDPESA-N
MW773.81 g/mol
LogP6.72
Rot. Bonds14

About 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride

2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (PubChem CID 169425788) has the molecular formula C42H50Cl2N6O4 and a molecular weight of 773.81 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
PubChem CID169425788
Molecular FormulaC42H50Cl2N6O4
Molecular Weight773.81 g/mol
Exact Mass772.33
IUPAC Name2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCC(CCc3ccc4ccccc4c3)CC2)c2ccccc2)cn1.Cl.Cl
InChIInChI=1S/C42H48N6O4.2ClH/c1-42(2,43)41(51)45-36(28-52-27-32-11-5-3-6-12-32)39(49)46-37-26-48(29-44-37)38(34-14-7-4-8-15-34)40(50)47-23-21-30(22-24-47)17-18-31-19-20-33-13-9-10-16-35(33)25-31;;/h3-16,19-20,25-26,29-30,36,38H,17-18,21-24,27-28,43H2,1-2H3,(H,45,51)(H,46,49);2*1H/t36-,38?;;/m1../s1
InChIKeyRWQZFKNXAZTIPZ-UULLLDPESA-N
XLogP6.72
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.81
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (CID 169425788) is 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(C(=O)N2CCC(CCc3ccc4ccccc4c3)CC2)c2ccccc2)cn1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The InChIKey is RWQZFKNXAZTIPZ-UULLLDPESA-N. The full InChI is InChI=1S/C42H48N6O4.2ClH/c1-42(2,43)41(51)45-36(28-52-27-32-11-5-3-6-12-32)39(49)46-37-26-48(29-44-37)38(34-14-7-4-8-15-34)40(50)47-23-21-30(22-24-47)17-18-31-19-20-33-13-9-10-16-35(33)25-31;;/h3-16,19-20,25-26,29-30,36,38H,17-18,21-24,27-28,43H2,1-2H3,(H,45,51)(H,46,49);2*1H/t36-,38?;;/m1../s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride has a molecular weight of 773.81 g/mol, XLogP of 6.72, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(2R)-1-[[1-[2-[4-(2-naphthalen-2-ylethyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 169425788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).