2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide

C28H26N4O4 — CID 67509944

IUPAC2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2ccccc2-n2ccc(-c3ccccc3)n2)OCCO1
InChIInChI=1S/C28H26N4O4/c29-27(34)28(35-17-18-36-28)25(19-20-9-3-1-4-10-20)30-26(33)22-13-7-8-14-24(22)32-16-15-23(31-32)21-11-5-2-6-12-21/h1-16,25H,17-19H2,(H2,29,34)(H,30,33)
InChIKeyCGUKJNLLSGBNDY-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.11
Rot. Bonds8

About 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide

2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide (PubChem CID 67509944) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide.

Molecular Properties

Compound Name2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide
PubChem CID67509944
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide
SMILESNC(=O)C1(C(Cc2ccccc2)NC(=O)c2ccccc2-n2ccc(-c3ccccc3)n2)OCCO1
InChIInChI=1S/C28H26N4O4/c29-27(34)28(35-17-18-36-28)25(19-20-9-3-1-4-10-20)30-26(33)22-13-7-8-14-24(22)32-16-15-23(31-32)21-11-5-2-6-12-21/h1-16,25H,17-19H2,(H2,29,34)(H,30,33)
InChIKeyCGUKJNLLSGBNDY-UHFFFAOYSA-N
XLogP3.11
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide?
The IUPAC name of 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide (CID 67509944) is 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide.
What is the SMILES notation for 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide?
The canonical SMILES for 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide is NC(=O)C1(C(Cc2ccccc2)NC(=O)c2ccccc2-n2ccc(-c3ccccc3)n2)OCCO1.
What is the InChIKey of 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide?
The InChIKey is CGUKJNLLSGBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c29-27(34)28(35-17-18-36-28)25(19-20-9-3-1-4-10-20)30-26(33)22-13-7-8-14-24(22)32-16-15-23(31-32)21-11-5-2-6-12-21/h1-16,25H,17-19H2,(H2,29,34)(H,30,33).
What are the key properties of 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide?
2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-1-[[2-(3-phenylpyrazol-1-yl)benzoyl]amino]ethyl]-1,3-dioxolane-2-carboxamide is sourced from PubChem (CID 67509944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).