N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide

C18H24N4O4 — CID 95973996

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)n1
InChIInChI=1S/C18H24N4O4/c1-12-5-6-15(26-4)14(11-12)13(2)19-17(23)18(24)20-16-7-8-22(21-16)9-10-25-3/h5-8,11,13H,9-10H2,1-4H3,(H,19,23)(H,20,21,24)/t13-/m1/s1
InChIKeyWQZISIKXYUGIAQ-CYBMUJFWSA-N
MW360.41 g/mol
LogP1.66
Rot. Bonds7

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide (PubChem CID 95973996) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide
PubChem CID95973996
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide
SMILESCOCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)n1
InChIInChI=1S/C18H24N4O4/c1-12-5-6-15(26-4)14(11-12)13(2)19-17(23)18(24)20-16-7-8-22(21-16)9-10-25-3/h5-8,11,13H,9-10H2,1-4H3,(H,19,23)(H,20,21,24)/t13-/m1/s1
InChIKeyWQZISIKXYUGIAQ-CYBMUJFWSA-N
XLogP1.66
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N'-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-N-[1-(2-methoxyethyl)pyrazol-3-yl]oxamide
CID 96529873
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048712
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295317
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 51264449
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 17023123
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide (CID 95973996) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide is COCCn1ccc(NC(=O)C(=O)N[C@H](C)c2cc(C)ccc2OC)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide?
The InChIKey is WQZISIKXYUGIAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-5-6-15(26-4)14(11-12)13(2)19-17(23)18(24)20-16-7-8-22(21-16)9-10-25-3/h5-8,11,13H,9-10H2,1-4H3,(H,19,23)(H,20,21,24)/t13-/m1/s1.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide has a molecular weight of 360.41 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-N'-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 95973996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).