4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide

C20H20N4O3 — CID 55840954

IUPAC4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-27-17-8-6-16(7-9-17)20(26)22-13-19(25)21-12-14-2-4-15(5-3-14)18-10-11-23-24-18/h2-11H,12-13H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNQWSNTGSWMGUKJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.13
Rot. Bonds7

About 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide

4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide (PubChem CID 55840954) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
PubChem CID55840954
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C20H20N4O3/c1-27-17-8-6-16(7-9-17)20(26)22-13-19(25)21-12-14-2-4-15(5-3-14)18-10-11-23-24-18/h2-11H,12-13H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyNQWSNTGSWMGUKJ-UHFFFAOYSA-N
XLogP2.13
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide with MolForge

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Related Compounds

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 51950942
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 72922589
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
4-methoxy-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzamide
CID 4628077
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 48502755
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide (CID 55840954) is 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide is COc1ccc(C(=O)NCC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is NQWSNTGSWMGUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-17-8-6-16(7-9-17)20(26)22-13-19(25)21-12-14-2-4-15(5-3-14)18-10-11-23-24-18/h2-11H,12-13H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide?
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 55840954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).