4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C22H24N4O5 — CID 55954270

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(Cn3cccn3)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C22H24N4O5/c1-29-18-10-17(11-19(30-2)21(18)31-14-20(23)27)22(28)24-12-15-5-3-6-16(9-15)13-26-8-4-7-25-26/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyCWAOLVXRZZFBFE-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.74
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55954270) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55954270
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(Cn3cccn3)c2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C22H24N4O5/c1-29-18-10-17(11-19(30-2)21(18)31-14-20(23)27)22(28)24-12-15-5-3-6-16(9-15)13-26-8-4-7-25-26/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyCWAOLVXRZZFBFE-UHFFFAOYSA-N
XLogP1.74
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
3,4-dimethoxy-N-[[3-[phenyl(pyrazol-1-ylmethyl)carbamoyl]phenyl]methyl]benzamide
CID 91600312
2-(4-propoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 60552181
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-chloro-4-ethoxy-5-methoxy-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419081

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55954270) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2cccc(Cn3cccn3)c2)cc(OC)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is CWAOLVXRZZFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-18-10-17(11-19(30-2)21(18)31-14-20(23)27)22(28)24-12-15-5-3-6-16(9-15)13-26-8-4-7-25-26/h3-11H,12-14H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 424.46 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55954270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).