N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C19H25N3O3 — CID 46986736

IUPACN-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(CCOC)Cc1cnn(C)c1
InChIInChI=1S/C19H25N3O3/c1-15(2)14-25-18-8-6-5-7-17(18)19(23)22(9-10-24-4)13-16-11-20-21(3)12-16/h5-8,11-12H,1,9-10,13-14H2,2-4H3
InChIKeyIGBCVOGEFDUSJV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.66
Rot. Bonds9

About N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide

N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 46986736) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID46986736
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(CCOC)Cc1cnn(C)c1
InChIInChI=1S/C19H25N3O3/c1-15(2)14-25-18-8-6-5-7-17(18)19(23)22(9-10-24-4)13-16-11-20-21(3)12-16/h5-8,11-12H,1,9-10,13-14H2,2-4H3
InChIKeyIGBCVOGEFDUSJV-UHFFFAOYSA-N
XLogP2.66
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74241488
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 50971783
N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide
CID 72886642
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide
CID 86779207
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 95723937
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
2-(2-methoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037061
N-(2-methoxyethyl)-1-methyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]piperidin-4-amine
CID 46989246
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 46986736) is N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is C=C(C)COc1ccccc1C(=O)N(CCOC)Cc1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is IGBCVOGEFDUSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-15(2)14-25-18-8-6-5-7-17(18)19(23)22(9-10-24-4)13-16-11-20-21(3)12-16/h5-8,11-12H,1,9-10,13-14H2,2-4H3.
What are the key properties of N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 46986736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).