ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

C23H34N4O4 — CID 178043698

About ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide

ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 178043698) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
• PubChem CID: 178043698
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
• SMILES: CC.Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)C3CC(C)CO3)cn2)cc1
• InChI: InChI=1S/C21H28N4O4.C2H6/c1-15-4-6-18(7-5-15)28-9-8-24(3)20(26)13-25-12-17(11-22-25)23-21(27)19-10-16(2)14-29-19;1-2/h4-7,11-12,16,19H,8-10,13-14H2,1-3H3,(H,23,27);1-2H3
• InChIKey: CKDOOLGIJMAKHR-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The IUPAC name of ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide (CID 178043698) is ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide.

What is the SMILES notation for ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The canonical SMILES for ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is CC.Cc1ccc(OCCN(C)C(=O)Cn2cc(NC(=O)C3CC(C)CO3)cn2)cc1.

What is the InChIKey of ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

The InChIKey is CKDOOLGIJMAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4.C2H6/c1-15-4-6-18(7-5-15)28-9-8-24(3)20(26)13-25-12-17(11-22-25)23-21(27)19-10-16(2)14-29-19;1-2/h4-7,11-12,16,19H,8-10,13-14H2,1-3H3,(H,23,27);1-2H3.

What are the key properties of ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide?

ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-methyl-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 178043698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).