2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide

C24H35ClN4O3 — CID 42733515

IUPAC2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H35ClN4O3/c1-16(2)28(22(31)15-32-18-11-9-17(25)10-12-18)14-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30)
InChIKeyPQLIEOLRASVRDO-UHFFFAOYSA-N
MW463.02 g/mol
LogP4.84
Rot. Bonds7

About 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide

2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide (PubChem CID 42733515) has the molecular formula C24H35ClN4O3 and a molecular weight of 463.02 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide
PubChem CID42733515
Molecular FormulaC24H35ClN4O3
Molecular Weight463.02 g/mol
Exact Mass462.24
IUPAC Name2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C24H35ClN4O3/c1-16(2)28(22(31)15-32-18-11-9-17(25)10-12-18)14-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30)
InChIKeyPQLIEOLRASVRDO-UHFFFAOYSA-N
XLogP4.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.02
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]-methylamino]acetamide
CID 42734729
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 42734922
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 1056408
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
CID 42733521
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
CID 77044875
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
4-tert-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3525101
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(4-ethoxyphenyl)carbamoyl-ethylamino]acetamide
CID 1062165
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide
CID 4570795

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide (CID 42733515) is 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide is CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide?
The InChIKey is PQLIEOLRASVRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN4O3/c1-16(2)28(22(31)15-32-18-11-9-17(25)10-12-18)14-21(30)26-20-13-19(23(3,4)5)27-29(20)24(6,7)8/h9-13,16H,14-15H2,1-8H3,(H,26,30).
What are the key properties of 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide?
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide has a molecular weight of 463.02 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42733515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).