N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide

C21H30N4O4 — CID 24818039

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1OCC
InChIInChI=1S/C21H30N4O4/c1-5-28-18-9-8-17(13-19(18)29-6-2)21(27)23-14-20(26)22-10-7-11-25-16(4)12-15(3)24-25/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZUTMKUVEPCPQQY-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.23
Rot. Bonds11

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 24818039) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID24818039
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1OCC
InChIInChI=1S/C21H30N4O4/c1-5-28-18-9-8-17(13-19(18)29-6-2)21(27)23-14-20(26)22-10-7-11-25-16(4)12-15(3)24-25/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyZUTMKUVEPCPQQY-UHFFFAOYSA-N
XLogP2.23
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-Dimethoxyphenyl)methyl]-2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]butanamide
CID 16022664
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[[(3R)-6-ethynyl-3,4-dihydro-2H-pyran-3-yl]-propylamino]butyl]-3-methoxybenzamide
CID 122177641
N-(1,3-benzodioxol-5-ylmethyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2811299
Benzo[1,3]dioxole-5-carboxylic acid [2-(3,5-dimethyl-pyrazol-1-yl)-propyl]-amide
CID 6499837
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
2-[4-[[[5-(4-Tert-butylphenyl)-1-ethylpyrazole-3-carbonyl]amino]methyl]-2-methoxyphenoxy]-2-methylpropanoic acid
CID 11477433
2-[2-Methoxy-4-[[[1-methyl-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 44562842
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
2-[6-(3-methoxyphenyl)-4-oxo-2-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrazin-5-yl]-N-propan-2-ylacetamide
CID 49865463
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
CID 658961
N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1,3-benzodioxole-5-carbohydrazide
CID 5412212

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide (CID 24818039) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NCCCn2nc(C)cc2C)cc1OCC.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is ZUTMKUVEPCPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-5-28-18-9-8-17(13-19(18)29-6-2)21(27)23-14-20(26)22-10-7-11-25-16(4)12-15(3)24-25/h8-9,12-13H,5-7,10-11,14H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 402.50 g/mol, XLogP of 2.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 24818039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).