N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H25N3O2 — CID 51295317

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C18H25N3O2/c1-11-7-8-17(23-6)16(9-11)12(2)19-18(22)10-15-13(3)20-21(5)14(15)4/h7-9,12H,10H2,1-6H3,(H,19,22)
InChIKeyWOWCHXFXHLGEMX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 51295317) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID51295317
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C18H25N3O2/c1-11-7-8-17(23-6)16(9-11)12(2)19-18(22)10-15-13(3)20-21(5)14(15)4/h7-9,12H,10H2,1-6H3,(H,19,22)
InChIKeyWOWCHXFXHLGEMX-UHFFFAOYSA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 51955758
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9478159
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263899
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 42929090
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 51212300
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 51295317) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1ccc(C)cc1C(C)NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WOWCHXFXHLGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11-7-8-17(23-6)16(9-11)12(2)19-18(22)10-15-13(3)20-21(5)14(15)4/h7-9,12H,10H2,1-6H3,(H,19,22).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 51295317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).