N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide

C18H24N4O2 — CID 46992104

IUPACN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide
SMILESC=CCn1cc(CNCC(=O)Nc2cc(C)ccc2OC)c(C)n1
InChIInChI=1S/C18H24N4O2/c1-5-8-22-12-15(14(3)21-22)10-19-11-18(23)20-16-9-13(2)6-7-17(16)24-4/h5-7,9,12,19H,1,8,10-11H2,2-4H3,(H,20,23)
InChIKeyPKHLSTDQVQROKV-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.42
Rot. Bonds8

About N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide (PubChem CID 46992104) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide
PubChem CID46992104
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide
SMILESC=CCn1cc(CNCC(=O)Nc2cc(C)ccc2OC)c(C)n1
InChIInChI=1S/C18H24N4O2/c1-5-8-22-12-15(14(3)21-22)10-19-11-18(23)20-16-9-13(2)6-7-17(16)24-4/h5-7,9,12,19H,1,8,10-11H2,2-4H3,(H,20,23)
InChIKeyPKHLSTDQVQROKV-UHFFFAOYSA-N
XLogP2.42
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 19518329
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
N-(2-chlorophenyl)-2-[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide
CID 2978022
2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 126363043
2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 5178149
2-[[5-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 19213329
2-(3,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9098774
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide
CID 21322087

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide (CID 46992104) is N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide is C=CCn1cc(CNCC(=O)Nc2cc(C)ccc2OC)c(C)n1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is PKHLSTDQVQROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-8-22-12-15(14(3)21-22)10-19-11-18(23)20-16-9-13(2)6-7-17(16)24-4/h5-7,9,12,19H,1,8,10-11H2,2-4H3,(H,20,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 46992104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).