2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane

C25H38N6O4 — CID 157337804

IUPAC2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane
SMILESC.CC1CCCN1C(=O)Cn1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C24H34N6O4.CH4/c1-17-8-7-11-30(17)21(31)13-29-12-20(26-16-29)28-22(32)19(27-23(33)24(2,3)25)15-34-14-18-9-5-4-6-10-18;/h4-6,9-10,12,16-17,19H,7-8,11,13-15,25H2,1-3H3,(H,27,33)(H,28,32);1H4/t17?,19-;/m1./s1
InChIKeyBGAUXBNVIQLQHG-PZBUXUTESA-N
MW486.62 g/mol
LogP1.91
Rot. Bonds10

About 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane

2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane (PubChem CID 157337804) has the molecular formula C25H38N6O4 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane
PubChem CID157337804
Molecular FormulaC25H38N6O4
Molecular Weight486.62 g/mol
Exact Mass486.30
IUPAC Name2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane
SMILESC.CC1CCCN1C(=O)Cn1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1
InChIInChI=1S/C24H34N6O4.CH4/c1-17-8-7-11-30(17)21(31)13-29-12-20(26-16-29)28-22(32)19(27-23(33)24(2,3)25)15-34-14-18-9-5-4-6-10-18;/h4-6,9-10,12,16-17,19H,7-8,11,13-15,25H2,1-3H3,(H,27,33)(H,28,32);1H4/t17?,19-;/m1./s1
InChIKeyBGAUXBNVIQLQHG-PZBUXUTESA-N
XLogP1.91
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane with MolForge

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Related Compounds

2-amino-N-[(2R)-1-[[1-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane
CID 157415337
2,2-dimethyl-N-[1-[[1-[2-[2-(methylperoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711315
2-amino-N-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20711040
2-amino-N-[(2R)-1-[[1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 59976033
methyl (2R)-1-[2-[4-[[2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 163437871
methyl 1-[(2S)-2-[4-[[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]-2-phenylacetyl]pyrrolidine-2-carboxylate
CID 10483548
CID 23593893
CID 23593893
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-(2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 59975854
2-amino-N-[1-[[1-(2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20711102
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-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane?
The IUPAC name of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane (CID 157337804) is 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane.
What is the SMILES notation for 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane?
The canonical SMILES for 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane is C.CC1CCCN1C(=O)Cn1cnc(NC(=O)[C@@H](COCc2ccccc2)NC(=O)C(C)(C)N)c1.
What is the InChIKey of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane?
The InChIKey is BGAUXBNVIQLQHG-PZBUXUTESA-N. The full InChI is InChI=1S/C24H34N6O4.CH4/c1-17-8-7-11-30(17)21(31)13-29-12-20(26-16-29)28-22(32)19(27-23(33)24(2,3)25)15-34-14-18-9-5-4-6-10-18;/h4-6,9-10,12,16-17,19H,7-8,11,13-15,25H2,1-3H3,(H,27,33)(H,28,32);1H4/t17?,19-;/m1./s1.
What are the key properties of 2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane?
2-amino-2-methyl-N-[(2R)-1-[[1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane has a molecular weight of 486.62 g/mol, XLogP of 1.91, 10 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-(2-methylpyrrolidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide;methane is sourced from PubChem (CID 157337804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).