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

C33H46Cl2N6O4 — CID 159609410

IUPAC2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCCCC1CCN(C(=O)C(c2ccccc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.Cl.Cl
InChIInChI=1S/C33H44N6O4.2ClH/c1-4-11-24-16-18-38(19-17-24)31(41)29(26-14-9-6-10-15-26)39-20-28(35-23-39)37-30(40)27(36-32(42)33(2,3)34)22-43-21-25-12-7-5-8-13-25;;/h5-10,12-15,20,23-24,27,29H,4,11,16-19,21-22,34H2,1-3H3,(H,36,42)(H,37,40);2*1H/t27-,29?;;/m1../s1
InChIKeyZOBCEIBKJFYYTL-ZNASKQPSSA-N
MW661.68 g/mol
LogP4.73
Rot. Bonds13

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

2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (PubChem CID 159609410) has the molecular formula C33H46Cl2N6O4 and a molecular weight of 661.68 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
PubChem CID159609410
Molecular FormulaC33H46Cl2N6O4
Molecular Weight661.68 g/mol
Exact Mass660.30
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride
SMILESCCCC1CCN(C(=O)C(c2ccccc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.Cl.Cl
InChIInChI=1S/C33H44N6O4.2ClH/c1-4-11-24-16-18-38(19-17-24)31(41)29(26-14-9-6-10-15-26)39-20-28(35-23-39)37-30(40)27(36-32(42)33(2,3)34)22-43-21-25-12-7-5-8-13-25;;/h5-10,12-15,20,23-24,27,29H,4,11,16-19,21-22,34H2,1-3H3,(H,36,42)(H,37,40);2*1H/t27-,29?;;/m1../s1
InChIKeyZOBCEIBKJFYYTL-ZNASKQPSSA-N
XLogP4.73
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.68
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-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
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-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
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-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711034
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-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-(2-fluoropropan-2-yl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 101022220
2-amino-2-methyl-N-[(2R)-1-[[1-[2-(4-methylpiperidin-1-yl)-2-oxo-1-(4-phenoxyphenyl)ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 59975901
2-amino-N-[(2R)-1-[[1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 169423889
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride (CID 159609410) is 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]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-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is CCCC1CCN(C(=O)C(c2ccccc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
The InChIKey is ZOBCEIBKJFYYTL-ZNASKQPSSA-N. The full InChI is InChI=1S/C33H44N6O4.2ClH/c1-4-11-24-16-18-38(19-17-24)31(41)29(26-14-9-6-10-15-26)39-20-28(35-23-39)37-30(40)27(36-32(42)33(2,3)34)22-43-21-25-12-7-5-8-13-25;;/h5-10,12-15,20,23-24,27,29H,4,11,16-19,21-22,34H2,1-3H3,(H,36,42)(H,37,40);2*1H/t27-,29?;;/m1../s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[(2R)-1-oxo-1-[[1-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride has a molecular weight of 661.68 g/mol, XLogP of 4.73, 13 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-[2-oxo-1-phenyl-2-(4-propylpiperidin-1-yl)ethyl]imidazol-4-yl]amino]-3-phenylmethoxypropan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 159609410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).