N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide

C21H23N3O3 — CID 50964846

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide
SMILESCCOc1ccccc1OCCN(C)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C21H23N3O3/c1-3-26-19-9-4-5-10-20(19)27-12-11-24(2)21(25)17-8-6-7-16(13-17)18-14-22-23-15-18/h4-10,13-15H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyXZZPLEJVHXSMKM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide

N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide (PubChem CID 50964846) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide
PubChem CID50964846
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide
SMILESCCOc1ccccc1OCCN(C)C(=O)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C21H23N3O3/c1-3-26-19-9-4-5-10-20(19)27-12-11-24(2)21(25)17-8-6-7-16(13-17)18-14-22-23-15-18/h4-10,13-15H,3,11-12H2,1-2H3,(H,22,23)
InChIKeyXZZPLEJVHXSMKM-UHFFFAOYSA-N
XLogP3.63
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(1H-pyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 74233483
N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 50966571
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
2,2-dimethyl-1-[3-(1H-pyrazol-4-yl)phenyl]propan-1-one
CID 121354891
3-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 60936955
N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
CID 119181815
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 112800692
2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756527

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide (CID 50964846) is N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide is CCOc1ccccc1OCCN(C)C(=O)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide?
The InChIKey is XZZPLEJVHXSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-26-19-9-4-5-10-20(19)27-12-11-24(2)21(25)17-8-6-7-16(13-17)18-14-22-23-15-18/h4-10,13-15H,3,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide?
N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-3-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 50964846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).