2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

C30H32N4O3 — CID 42732225

IUPAC2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C30H32N4O3/c1-2-3-19-33(30(36)23-37-22-24-13-7-4-8-14-24)21-29(35)31-28-20-27(25-15-9-5-10-16-25)32-34(28)26-17-11-6-12-18-26/h4-18,20H,2-3,19,21-23H2,1H3,(H,31,35)
InChIKeyKAFQWDKHNMIZGA-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.32
Rot. Bonds12

About 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide

2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (PubChem CID 42732225) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
PubChem CID42732225
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
SMILESCCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C30H32N4O3/c1-2-3-19-33(30(36)23-37-22-24-13-7-4-8-14-24)21-29(35)31-28-20-27(25-15-9-5-10-16-25)32-34(28)26-17-11-6-12-18-26/h4-18,20H,2-3,19,21-23H2,1H3,(H,31,35)
InChIKeyKAFQWDKHNMIZGA-UHFFFAOYSA-N
XLogP5.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[pentyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3380613
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 5140231
ethyl 4-[butyl-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 42732109
2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986707
N-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 3579116
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-pentylhexanamide
CID 3524886
2-[butyl-(2-methoxyacetyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733145
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[butyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3279055
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 4690574
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-3-methoxy-N-pentylbenzamide
CID 3643539
trans-(1R,2R)-N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylcyclopropane-1-carboxamide
CID 92993597

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide (CID 42732225) is 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)COCc1ccccc1.
What is the InChIKey of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
The InChIKey is KAFQWDKHNMIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-2-3-19-33(30(36)23-37-22-24-13-7-4-8-14-24)21-29(35)31-28-20-27(25-15-9-5-10-16-25)32-34(28)26-17-11-6-12-18-26/h4-18,20H,2-3,19,21-23H2,1H3,(H,31,35).
What are the key properties of 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide?
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide has a molecular weight of 496.61 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 42732225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).