2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride

C32H44Cl2N6O4 — CID 169428425

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(CCCc2ccccc2)C(=O)N2CCCC2)cn1.Cl.Cl
InChIInChI=1S/C32H42N6O4.2ClH/c1-32(2,33)31(41)35-26(22-42-21-25-14-7-4-8-15-25)29(39)36-28-20-38(23-34-28)27(30(40)37-18-9-10-19-37)17-11-16-24-12-5-3-6-13-24;;/h3-8,12-15,20,23,26-27H,9-11,16-19,21-22,33H2,1-2H3,(H,35,41)(H,36,39);2*1H/t26-,27?;;/m1../s1
InChIKeyDYEFFGDQDZGBOL-RUGHQCMPSA-N
MW647.65 g/mol
LogP4.29
Rot. Bonds14

About 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (PubChem CID 169428425) has the molecular formula C32H44Cl2N6O4 and a molecular weight of 647.65 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
PubChem CID169428425
Molecular FormulaC32H44Cl2N6O4
Molecular Weight647.65 g/mol
Exact Mass646.28
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(CCCc2ccccc2)C(=O)N2CCCC2)cn1.Cl.Cl
InChIInChI=1S/C32H42N6O4.2ClH/c1-32(2,33)31(41)35-26(22-42-21-25-14-7-4-8-15-25)29(39)36-28-20-38(23-34-28)27(30(40)37-18-9-10-19-37)17-11-16-24-12-5-3-6-13-24;;/h3-8,12-15,20,23,26-27H,9-11,16-19,21-22,33H2,1-2H3,(H,35,41)(H,36,39);2*1H/t26-,27?;;/m1../s1
InChIKeyDYEFFGDQDZGBOL-RUGHQCMPSA-N
XLogP4.29
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.65
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
CID 59975881
2-amino-2-methyl-N-[1-oxo-1-[[1-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
CID 20711058
2-amino-N-[(2R)-1-[[1-[2-(azocan-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;sulfane;dihydrochloride
CID 158468349
2-amino-2-methyl-N-[1-[[1-[1-(4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711063
2-amino-N-[(2R)-1-[[1-[1-(4-ethoxyphenyl)-2-oxo-2-pyrrolidin-1-ylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 169432141
2-amino-2-methyl-N-[1-oxo-1-[[1-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide
CID 20711077
2-amino-N-[1-[[1-[2-(3,3-dimethylpiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20710988
2-amino-2-methyl-N-[(2R)-1-[[1-(2-morpholin-4-yl-2-oxo-1-phenylethyl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 58583537
2-amino-N-[(2R)-1-[[1-[2-(4-hydroxypiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 59976157
2-[(2-amino-2-methylpropanoyl)amino]-N-[1-(1-naphthalen-2-yl-2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-5-phenylpentanamide
CID 20710787
2-amino-N-[1-[[1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20710992
2-amino-N-[1-[[1-[2-(4-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20711024

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (CID 169428425) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C(CCCc2ccccc2)C(=O)N2CCCC2)cn1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The InChIKey is DYEFFGDQDZGBOL-RUGHQCMPSA-N. The full InChI is InChI=1S/C32H42N6O4.2ClH/c1-32(2,33)31(41)35-26(22-42-21-25-14-7-4-8-15-25)29(39)36-28-20-38(23-34-28)27(30(40)37-18-9-10-19-37)17-11-16-24-12-5-3-6-13-24;;/h3-8,12-15,20,23,26-27H,9-11,16-19,21-22,33H2,1-2H3,(H,35,41)(H,36,39);2*1H/t26-,27?;;/m1../s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride has a molecular weight of 647.65 g/mol, XLogP of 4.29, 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-oxo-1-[[1-(1-oxo-5-phenyl-1-pyrrolidin-1-ylpentan-2-yl)imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 169428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).