2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

C27H28N4O — CID 175630363

IUPAC2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)
InChIKeyWLJKCEKXVKYQDT-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.91
Rot. Bonds8

About 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide

2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (PubChem CID 175630363) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
PubChem CID175630363
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
SMILESCc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H28N4O/c1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32)
InChIKeyWLJKCEKXVKYQDT-UHFFFAOYSA-N
XLogP4.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide (CID 175630363) is 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is Cc1ccc(CCNC(C(=O)Nc2ccc(-c3cnn(C)c3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is WLJKCEKXVKYQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20-8-10-21(11-9-20)16-17-28-26(23-6-4-3-5-7-23)27(32)30-25-14-12-22(13-15-25)24-18-29-31(2)19-24/h3-15,18-19,26,28H,16-17H2,1-2H3,(H,30,32).
What are the key properties of 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide?
2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 424.55 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 175630363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).