tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate

C24H33N5O6 — CID 24792917

IUPACtert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H33N5O6/c1-23(2,3)34-17(30)13-26-21(32)19-18(28-14-29-19)20(31)25-11-15-7-9-16(10-8-15)12-27-22(33)35-24(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,25,31)(H,26,32)(H,27,33)(H,28,29)
InChIKeyIJPAQFKJXODMEB-UHFFFAOYSA-N
MW487.56 g/mol
LogP2.44
Rot. Bonds8

About tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate

tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate (PubChem CID 24792917) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
PubChem CID24792917
Molecular FormulaC24H33N5O6
Molecular Weight487.56 g/mol
Exact Mass487.24
IUPAC Nametert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H33N5O6/c1-23(2,3)34-17(30)13-26-21(32)19-18(28-14-29-19)20(31)25-11-15-7-9-16(10-8-15)12-27-22(33)35-24(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,25,31)(H,26,32)(H,27,33)(H,28,29)
InChIKeyIJPAQFKJXODMEB-UHFFFAOYSA-N
XLogP2.44
TPSA151.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[[4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]acetate
CID 16746593
tert-butyl N-[[4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]phenyl]methyl]carbamate
CID 46904178
benzyl 4-methyl-2-[[4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamoyl]-1H-imidazole-5-carbonyl]amino]pentanoate
CID 73319773
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095
tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-(aminosulfanylamino)phenyl]methyl]carbamate
CID 142539793
tert-butyl N-[[4-(3-hydrazinylpropyl)phenyl]methyl]carbamate
CID 142209832
tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-[(trifluoromethylamino)carbamoyl]phenyl]methyl]carbamate
CID 146685470
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate (CID 24792917) is tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
The InChIKey is IJPAQFKJXODMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-23(2,3)34-17(30)13-26-21(32)19-18(28-14-29-19)20(31)25-11-15-7-9-16(10-8-15)12-27-22(33)35-24(4,5)6/h7-10,14H,11-13H2,1-6H3,(H,25,31)(H,26,32)(H,27,33)(H,28,29).
What are the key properties of tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate?
tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate has a molecular weight of 487.56 g/mol, XLogP of 2.44, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[5-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylcarbamoyl]-1H-imidazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 24792917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).