N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide

C24H28N4O3 — CID 86967474

IUPACN-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3/c1-24(2,17-19-8-4-3-5-9-19)18-25-22(29)23(30)27-20-10-6-11-21(16-20)31-15-14-28-13-7-12-26-28/h3-13,16H,14-15,17-18H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyLPBWKZOARRKWOD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.29
Rot. Bonds9

About N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide

N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide (PubChem CID 86967474) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
PubChem CID86967474
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
SMILESCC(C)(CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1)Cc1ccccc1
InChIInChI=1S/C24H28N4O3/c1-24(2,17-19-8-4-3-5-9-19)18-25-22(29)23(30)27-20-10-6-11-21(16-20)31-15-14-28-13-7-12-26-28/h3-13,16H,14-15,17-18H2,1-2H3,(H,25,29)(H,27,30)
InChIKeyLPBWKZOARRKWOD-UHFFFAOYSA-N
XLogP3.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
1-[3-(2-pyrazol-1-ylethoxy)phenyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55836595
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952
4-fluoro-N-[2-oxo-2-[3-(2-pyrazol-1-ylethoxy)anilino]ethyl]benzamide
CID 55766765
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
3-(5-phenylfuran-2-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]propanamide
CID 55767669
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
CID 55854489

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The IUPAC name of N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide (CID 86967474) is N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide.
What is the SMILES notation for N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The canonical SMILES for N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide is CC(C)(CNC(=O)C(=O)Nc1cccc(OCCn2cccn2)c1)Cc1ccccc1.
What is the InChIKey of N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
The InChIKey is LPBWKZOARRKWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(2,17-19-8-4-3-5-9-19)18-25-22(29)23(30)27-20-10-6-11-21(16-20)31-15-14-28-13-7-12-26-28/h3-13,16H,14-15,17-18H2,1-2H3,(H,25,29)(H,27,30).
What are the key properties of N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide?
N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide has a molecular weight of 420.51 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide is sourced from PubChem (CID 86967474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).