ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate

C24H35N5O4 — CID 4545362

IUPACethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(C)C
InChIInChI=1S/C24H35N5O4/c1-8-33-22(31)14-25-23(32)28(16(2)3)15-21(30)26-20-13-19(24(5,6)7)27-29(20)18-12-10-9-11-17(18)4/h9-13,16H,8,14-15H2,1-7H3,(H,25,32)(H,26,30)
InChIKeyVJAQFKFDXYIUJG-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.40
Rot. Bonds8

About ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate

ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate (PubChem CID 4545362) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
PubChem CID4545362
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Nameethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(C)C
InChIInChI=1S/C24H35N5O4/c1-8-33-22(31)14-25-23(32)28(16(2)3)15-21(30)26-20-13-19(24(5,6)7)27-29(20)18-12-10-9-11-17(18)4/h9-13,16H,8,14-15H2,1-7H3,(H,25,32)(H,26,30)
InChIKeyVJAQFKFDXYIUJG-UHFFFAOYSA-N
XLogP3.40
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[butyl-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 4216898
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
2-[tert-butylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]acetamide
CID 3514436
(2R)-N-[2-[[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-chloro-N-propan-2-ylpropanamide
CID 1060811
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 1052060
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 42733389
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 42732928
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3634793
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methyl-N-(3-methylbutyl)benzamide
CID 4657874
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-diethylhexanamide
CID 42732474
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
ethyl 2-[[[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-(3-methoxypropyl)carbamoyl]amino]acetate
CID 42735890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate (CID 4545362) is ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(C)C.
What is the InChIKey of ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate?
The InChIKey is VJAQFKFDXYIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-8-33-22(31)14-25-23(32)28(16(2)3)15-21(30)26-20-13-19(24(5,6)7)27-29(20)18-12-10-9-11-17(18)4/h9-13,16H,8,14-15H2,1-7H3,(H,25,32)(H,26,30).
What are the key properties of ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate?
ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate has a molecular weight of 457.58 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]acetate is sourced from PubChem (CID 4545362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).