3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

C16H21N3O3 — CID 38607050

IUPAC3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)Cn2cccn2)ccc1OC
InChIInChI=1S/C16H21N3O3/c1-4-22-15-10-13(6-7-14(15)21-3)16(20)18-12(2)11-19-9-5-8-17-19/h5-10,12H,4,11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyYKJUQAWFXXTHGE-LBPRGKRZSA-N
MW303.36 g/mol
LogP2.11
Rot. Bonds7

About 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (PubChem CID 38607050) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
PubChem CID38607050
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)Cn2cccn2)ccc1OC
InChIInChI=1S/C16H21N3O3/c1-4-22-15-10-13(6-7-14(15)21-3)16(20)18-12(2)11-19-9-5-8-17-19/h5-10,12H,4,11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyYKJUQAWFXXTHGE-LBPRGKRZSA-N
XLogP2.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
2-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114325720
5-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 38610936
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-[(2-methoxyphenyl)sulfamoyl]-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43064966
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94029275
4-chloro-3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61041075
3-fluoro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62680932

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (CID 38607050) is 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is CCOc1cc(C(=O)N[C@@H](C)Cn2cccn2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The InChIKey is YKJUQAWFXXTHGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-22-15-10-13(6-7-14(15)21-3)16(20)18-12(2)11-19-9-5-8-17-19/h5-10,12H,4,11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 38607050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).