N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

C17H23N3O3 — CID 71863563

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C17H23N3O3/c1-12(2)17(21)20(14-9-18-19(3)11-14)10-13-6-7-15(22-4)8-16(13)23-5/h6-9,11-12H,10H2,1-5H3
InChIKeyVAPRPBSQVKZVGQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.63
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 71863563) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID71863563
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1ccc(CN(C(=O)C(C)C)c2cnn(C)c2)c(OC)c1
InChIInChI=1S/C17H23N3O3/c1-12(2)17(21)20(14-9-18-19(3)11-14)10-13-6-7-15(22-4)8-16(13)23-5/h6-9,11-12H,10H2,1-5H3
InChIKeyVAPRPBSQVKZVGQ-UHFFFAOYSA-N
XLogP2.63
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (CID 71863563) is N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide is COc1ccc(CN(C(=O)C(C)C)c2cnn(C)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is VAPRPBSQVKZVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(2)17(21)20(14-9-18-19(3)11-14)10-13-6-7-15(22-4)8-16(13)23-5/h6-9,11-12H,10H2,1-5H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71863563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).