N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide

C16H20N4O3 — CID 50956495

IUPACN-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C16H20N4O3/c1-3-23-14-7-5-4-6-13(14)18-15(21)10-16(22)20(2)11-12-8-9-17-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,19)(H,18,21)
InChIKeySQFYNQLRWIJBCT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.80
Rot. Bonds7

About N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide

N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide (PubChem CID 50956495) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide
PubChem CID50956495
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C16H20N4O3/c1-3-23-14-7-5-4-6-13(14)18-15(21)10-16(22)20(2)11-12-8-9-17-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,19)(H,18,21)
InChIKeySQFYNQLRWIJBCT-UHFFFAOYSA-N
XLogP1.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-N'-methyl-N'-(quinolin-4-ylmethyl)propanediamide
CID 50964947
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
CID 174193763
CID 174193763
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N-(2-ethoxyphenyl)-N'-methyl-N'-(1-pyridin-3-ylpropyl)propanediamide
CID 50963279
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N'-(2-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947846
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide (CID 50956495) is N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)N(C)Cc1ccn[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide?
The InChIKey is SQFYNQLRWIJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-23-14-7-5-4-6-13(14)18-15(21)10-16(22)20(2)11-12-8-9-17-19-12/h4-9H,3,10-11H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide?
N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide has a molecular weight of 316.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)propanediamide is sourced from PubChem (CID 50956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).