3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide

C34H51N5O6 — CID 134394723

About 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide

3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide (PubChem CID 134394723) has the molecular formula C34H51N5O6 and a molecular weight of 625.81 g/mol. Its IUPAC name is 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide.

Molecular Properties

• Compound Name: 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide
• PubChem CID: 134394723
• Molecular Formula: C34H51N5O6
• Molecular Weight: 625.81 g/mol
• Exact Mass: 625.38
• IUPAC Name: 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide
• SMILES: CCN(CC(OC)OC)C(=O)CCOCCc1cccc(CN2CCC3(CC2)CN(C(=O)c2ccn(CC4CC4)n2)CCO3)c1
• InChI: InChI=1S/C34H51N5O6/c1-4-37(25-32(42-2)43-3)31(40)12-20-44-19-11-27-6-5-7-29(22-27)23-36-16-13-34(14-17-36)26-38(18-21-45-34)33(41)30-10-15-39(35-30)24-28-8-9-28/h5-7,10,15,22,28,32H,4,8-9,11-14,16-21,23-26H2,1-3H3
• InChIKey: MLKZZOULYQNUEO-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 98.60 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.81
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide?

The IUPAC name of 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide (CID 134394723) is 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide.

What is the SMILES notation for 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide?

The canonical SMILES for 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide is CCN(CC(OC)OC)C(=O)CCOCCc1cccc(CN2CCC3(CC2)CN(C(=O)c2ccn(CC4CC4)n2)CCO3)c1.

What is the InChIKey of 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide?

The InChIKey is MLKZZOULYQNUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O6/c1-4-37(25-32(42-2)43-3)31(40)12-20-44-19-11-27-6-5-7-29(22-27)23-36-16-13-34(14-17-36)26-38(18-21-45-34)33(41)30-10-15-39(35-30)24-28-8-9-28/h5-7,10,15,22,28,32H,4,8-9,11-14,16-21,23-26H2,1-3H3.

What are the key properties of 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide?

3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide has a molecular weight of 625.81 g/mol, XLogP of 3.22, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[[4-[1-(cyclopropylmethyl)pyrazole-3-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]phenyl]ethoxy]-N-(2,2-dimethoxyethyl)-N-ethylpropanamide is sourced from PubChem (CID 134394723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).