3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

C24H28N4O4 — CID 35955494

IUPAC3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cn2cccn2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-3-31-21-11-10-18(14-22(21)32-4-2)24(30)26-16-23(29)25-15-19-8-5-6-9-20(19)17-28-13-7-12-27-28/h5-14H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOBLARGFJLUYRGZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.78
Rot. Bonds11

About 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 35955494) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID35955494
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cn2cccn2)cc1OCC
InChIInChI=1S/C24H28N4O4/c1-3-31-21-11-10-18(14-22(21)32-4-2)24(30)26-16-23(29)25-15-19-8-5-6-9-20(19)17-28-13-7-12-27-28/h5-14H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOBLARGFJLUYRGZ-UHFFFAOYSA-N
XLogP2.78
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[2-oxo-2-[[2-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 38556550
N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide (CID 35955494) is 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2ccccc2Cn2cccn2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is OBLARGFJLUYRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-3-31-21-11-10-18(14-22(21)32-4-2)24(30)26-16-23(29)25-15-19-8-5-6-9-20(19)17-28-13-7-12-27-28/h5-14H,3-4,15-17H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide?
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 35955494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).