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

C26H31N5O3 — CID 59975854

IUPAC2-amino-N-[(2R)-1-[[1-(2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C2CCc3ccccc32)cn1
InChIInChI=1S/C26H31N5O3/c1-26(2,27)25(33)29-21(16-34-15-18-8-4-3-5-9-18)24(32)30-23-14-31(17-28-23)22-13-12-19-10-6-7-11-20(19)22/h3-11,14,17,21-22H,12-13,15-16,27H2,1-2H3,(H,29,33)(H,30,32)/t21-,22?/m1/s1
InChIKeyBSFYVWAWEGOTAB-ZMFCMNQTSA-N
MW461.57 g/mol
LogP2.80
Rot. Bonds9

About 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

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 (PubChem CID 59975854) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-amino-N-[(2R)-1-[[1-(2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID59975854
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name2-amino-N-[(2R)-1-[[1-(2,3-dihydro-1H-inden-1-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C2CCc3ccccc32)cn1
InChIInChI=1S/C26H31N5O3/c1-26(2,27)25(33)29-21(16-34-15-18-8-4-3-5-9-18)24(32)30-23-14-31(17-28-23)22-13-12-19-10-6-7-11-20(19)22/h3-11,14,17,21-22H,12-13,15-16,27H2,1-2H3,(H,29,33)(H,30,32)/t21-,22?/m1/s1
InChIKeyBSFYVWAWEGOTAB-ZMFCMNQTSA-N
XLogP2.80
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-[[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
CID 20711040
benzyl 2-[4-[[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]-2-phenylacetate
CID 59103089
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-[2-(4-ethylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;methane
CID 157415337
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
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
tert-butyl N-[1-[[(2R)-1-[[1-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 59976034
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-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]propanamide
CID 20711034
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)Nc1cn(C2CCc3ccccc32)cn1.
What is the InChIKey of 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?
The InChIKey is BSFYVWAWEGOTAB-ZMFCMNQTSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2,27)25(33)29-21(16-34-15-18-8-4-3-5-9-18)24(32)30-23-14-31(17-28-23)22-13-12-19-10-6-7-11-20(19)22/h3-11,14,17,21-22H,12-13,15-16,27H2,1-2H3,(H,29,33)(H,30,32)/t21-,22?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 461.57 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59975854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).