4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

C24H29N3O2 — CID 19293754

IUPAC4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C24H29N3O2/c1-17-7-5-8-18(2)23(17)29-16-21-9-11-22(12-10-21)24(28)25-13-6-14-27-20(4)15-19(3)26-27/h5,7-12,15H,6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyDHVKNCGSVFCZTC-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.52
Rot. Bonds8

About 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide

4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (PubChem CID 19293754) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
PubChem CID19293754
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1
InChIInChI=1S/C24H29N3O2/c1-17-7-5-8-18(2)23(17)29-16-21-9-11-22(12-10-21)24(28)25-13-6-14-27-20(4)15-19(3)26-27/h5,7-12,15H,6,13-14,16H2,1-4H3,(H,25,28)
InChIKeyDHVKNCGSVFCZTC-UHFFFAOYSA-N
XLogP4.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
4-[(2,6-dimethylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332359
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19325826
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-hydroxyphenyl)acetamide
CID 115603539
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide (CID 19293754) is 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is Cc1cc(C)n(CCCNC(=O)c2ccc(COc3c(C)cccc3C)cc2)n1.
What is the InChIKey of 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
The InChIKey is DHVKNCGSVFCZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-7-5-8-18(2)23(17)29-16-21-9-11-22(12-10-21)24(28)25-13-6-14-27-20(4)15-19(3)26-27/h5,7-12,15H,6,13-14,16H2,1-4H3,(H,25,28).
What are the key properties of 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide?
4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide has a molecular weight of 391.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide is sourced from PubChem (CID 19293754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).