N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C19H27N3O3 — CID 60616453

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cc(CNC(=O)Cc2cnn(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C19H27N3O3/c1-14(2)7-8-25-17-6-5-15(9-18(17)24-4)11-20-19(23)10-16-12-21-22(3)13-16/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,20,23)
InChIKeyGJUOHQPIYMSRJZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.71
Rot. Bonds9

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 60616453) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID60616453
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1cc(CNC(=O)Cc2cnn(C)c2)ccc1OCCC(C)C
InChIInChI=1S/C19H27N3O3/c1-14(2)7-8-25-17-6-5-15(9-18(17)24-4)11-20-19(23)10-16-12-21-22(3)13-16/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,20,23)
InChIKeyGJUOHQPIYMSRJZ-UHFFFAOYSA-N
XLogP2.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
2-cyclopentyl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 54786541
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 55713708
3,4,5-trimethoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]benzamide
CID 54776880
3-(1,3-dioxoisoindol-2-yl)-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propanamide
CID 55725283
N-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 55713571
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52608395
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-1-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 75423542
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 60616453) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is COc1cc(CNC(=O)Cc2cnn(C)c2)ccc1OCCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is GJUOHQPIYMSRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)7-8-25-17-6-5-15(9-18(17)24-4)11-20-19(23)10-16-12-21-22(3)13-16/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,20,23).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 60616453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).