N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H25N3O2 — CID 38449993

IUPACN-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(OCCNC(=O)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-5-7-16(8-6-13)23-12-11-19-18(22)10-9-17-14(2)20-21(4)15(17)3/h5-8H,9-12H2,1-4H3,(H,19,22)
InChIKeyDSUBAULPVVOVRA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 38449993) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID38449993
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(OCCNC(=O)CCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N3O2/c1-13-5-7-16(8-6-13)23-12-11-19-18(22)10-9-17-14(2)20-21(4)15(17)3/h5-8H,9-12H2,1-4H3,(H,19,22)
InChIKeyDSUBAULPVVOVRA-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.47
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

N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 36873203
N-[2-(4-chlorophenoxy)ethyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 31533399
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9456624
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 38449351
2-[(4-ethoxyphenyl)methyl]-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119232130
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 38449993) is N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ccc(OCCNC(=O)CCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DSUBAULPVVOVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-5-7-16(8-6-13)23-12-11-19-18(22)10-9-17-14(2)20-21(4)15(17)3/h5-8H,9-12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 38449993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).