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

C37H44N6O5 — CID 59975901

IUPAC2-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
SMILESCC1CCN(C(=O)C(c2ccc(Oc3ccccc3)cc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1
InChIInChI=1S/C37H44N6O5/c1-26-18-20-42(21-19-26)35(45)33(28-14-16-30(17-15-28)48-29-12-8-5-9-13-29)43-22-32(39-25-43)41-34(44)31(40-36(46)37(2,3)38)24-47-23-27-10-6-4-7-11-27/h4-17,22,25-26,31,33H,18-21,23-24,38H2,1-3H3,(H,40,46)(H,41,44)/t31-,33?/m1/s1
InChIKeyGMKKGMIXTURBMS-GWLFDFPQSA-N
MW652.80 g/mol
LogP4.90
Rot. Bonds13

About 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

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 (PubChem CID 59975901) has the molecular formula C37H44N6O5 and a molecular weight of 652.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID59975901
Molecular FormulaC37H44N6O5
Molecular Weight652.80 g/mol
Exact Mass652.34
IUPAC Name2-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
SMILESCC1CCN(C(=O)C(c2ccc(Oc3ccccc3)cc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1
InChIInChI=1S/C37H44N6O5/c1-26-18-20-42(21-19-26)35(45)33(28-14-16-30(17-15-28)48-29-12-8-5-9-13-29)43-22-32(39-25-43)41-34(44)31(40-36(46)37(2,3)38)24-47-23-27-10-6-4-7-11-27/h4-17,22,25-26,31,33H,18-21,23-24,38H2,1-3H3,(H,40,46)(H,41,44)/t31-,33?/m1/s1
InChIKeyGMKKGMIXTURBMS-GWLFDFPQSA-N
XLogP4.90
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.80
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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-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-[(2R)-1-[[1-[1-(2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 59976148
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-[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-[(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
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-[(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-(4-methoxybenzoyl)piperidin-1-yl]-2-oxo-1-phenylethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 169423889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCN(C(=O)C(c2ccc(Oc3ccccc3)cc2)n2cnc(NC(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.
What is the InChIKey of 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?
The InChIKey is GMKKGMIXTURBMS-GWLFDFPQSA-N. The full InChI is InChI=1S/C37H44N6O5/c1-26-18-20-42(21-19-26)35(45)33(28-14-16-30(17-15-28)48-29-12-8-5-9-13-29)43-22-32(39-25-43)41-34(44)31(40-36(46)37(2,3)38)24-47-23-27-10-6-4-7-11-27/h4-17,22,25-26,31,33H,18-21,23-24,38H2,1-3H3,(H,40,46)(H,41,44)/t31-,33?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 652.80 g/mol, XLogP of 4.90, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59975901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).