N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H32N4O2 — CID 55538702

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C21H32N4O2/c1-6-25(7-2)14-15-27-20-11-9-8-10-19(20)22-21(26)13-12-18-16(3)23-24(5)17(18)4/h8-11H,6-7,12-15H2,1-5H3,(H,22,26)
InChIKeyNDAQSQWUKBROAI-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.33
Rot. Bonds10

About N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55538702) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55538702
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C21H32N4O2/c1-6-25(7-2)14-15-27-20-11-9-8-10-19(20)22-21(26)13-12-18-16(3)23-24(5)17(18)4/h8-11H,6-7,12-15H2,1-5H3,(H,22,26)
InChIKeyNDAQSQWUKBROAI-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 55580634
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
2-(3,4-dichlorophenyl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 17499285
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-ethoxyphenyl)propanamide
CID 110685624
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
CID 55965654
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273
1-[2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206679
N-[(2-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24574499
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide
CID 56514095
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 46673427

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55538702) is N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCN(CC)CCOc1ccccc1NC(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is NDAQSQWUKBROAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-6-25(7-2)14-15-27-20-11-9-8-10-19(20)22-21(26)13-12-18-16(3)23-24(5)17(18)4/h8-11H,6-7,12-15H2,1-5H3,(H,22,26).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 372.51 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).