N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

C24H30N4O4 — CID 42735368

IUPACN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1ccco1
InChIInChI=1S/C24H30N4O4/c1-17-8-6-9-18(14-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(11-13-31-5)23(30)19-10-7-12-32-19/h6-10,12,14-15H,11,13,16H2,1-5H3,(H,25,29)
InChIKeyDUJLTIUGCRUWMH-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.80
Rot. Bonds8

About N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide

N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (PubChem CID 42735368) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
PubChem CID42735368
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1ccco1
InChIInChI=1S/C24H30N4O4/c1-17-8-6-9-18(14-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(11-13-31-5)23(30)19-10-7-12-32-19/h6-10,12,14-15H,11,13,16H2,1-5H3,(H,25,29)
InChIKeyDUJLTIUGCRUWMH-UHFFFAOYSA-N
XLogP3.80
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42735357
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42735359
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42735354
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42735871
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 42735432
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3964180
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 4265189
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4011807
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 1056420
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 4990794
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-chloro-N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 42735445
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 N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide (CID 42735368) is N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
The InChIKey is DUJLTIUGCRUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-8-6-9-18(14-17)28-21(15-20(26-28)24(2,3)4)25-22(29)16-27(11-13-31-5)23(30)19-10-7-12-32-19/h6-10,12,14-15H,11,13,16H2,1-5H3,(H,25,29).
What are the key properties of N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide?
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)furan-2-carboxamide is sourced from PubChem (CID 42735368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).