N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide

C22H33N5O3 — CID 42740697

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H33N5O3/c1-15-9-8-10-17(16(15)2)23-21(29)27(11-12-30-7)14-20(28)24-19-13-18(22(3,4)5)25-26(19)6/h8-10,13H,11-12,14H2,1-7H3,(H,23,29)(H,24,28)
InChIKeyJEPMPDSZJQJQPL-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.45
Rot. Bonds7

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide (PubChem CID 42740697) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
PubChem CID42740697
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C22H33N5O3/c1-15-9-8-10-17(16(15)2)23-21(29)27(11-12-30-7)14-20(28)24-19-13-18(22(3,4)5)25-26(19)6/h8-10,13H,11-12,14H2,1-7H3,(H,23,29)(H,24,28)
InChIKeyJEPMPDSZJQJQPL-UHFFFAOYSA-N
XLogP3.45
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42740698
2-[(3-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740680
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]acetamide
CID 3642057
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42740576
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 4551609
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42734900
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3964180
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 42734902
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,3-dimethylphenyl)carbamoyl-propylamino]acetamide
CID 1052648
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-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 42740597
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 5106390

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide (CID 42740697) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
The InChIKey is JEPMPDSZJQJQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-15-9-8-10-17(16(15)2)23-21(29)27(11-12-30-7)14-20(28)24-19-13-18(22(3,4)5)25-26(19)6/h8-10,13H,11-12,14H2,1-7H3,(H,23,29)(H,24,28).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide has a molecular weight of 415.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 42740697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).