formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide

C32H43F3N2O4 — CID 145281597

IUPACformaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide
SMILESC=O.CC1c2oncc2CC2(C)C3=CC(=O)C4C(CCC5(C(=O)NCC(F)(F)F)CCC(C)(C)CC45)C3(C)CCC12
InChIInChI=1S/C31H41F3N2O3.CH2O/c1-17-19-6-8-28(4)20-7-9-30(26(38)35-16-31(32,33)34)11-10-27(2,3)14-21(30)24(20)22(37)12-23(28)29(19,5)13-18-15-36-39-25(17)18;1-2/h12,15,17,19-21,24H,6-11,13-14,16H2,1-5H3,(H,35,38);1H2
InChIKeyWIXIVRUCFXADNQ-UHFFFAOYSA-N
MW576.70 g/mol
LogP6.60
Rot. Bonds2

About formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide

formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide (PubChem CID 145281597) has the molecular formula C32H43F3N2O4 and a molecular weight of 576.70 g/mol. Its IUPAC name is formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide.

Molecular Properties

Compound Nameformaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide
PubChem CID145281597
Molecular FormulaC32H43F3N2O4
Molecular Weight576.70 g/mol
Exact Mass576.32
IUPAC Nameformaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide
SMILESC=O.CC1c2oncc2CC2(C)C3=CC(=O)C4C(CCC5(C(=O)NCC(F)(F)F)CCC(C)(C)CC45)C3(C)CCC12
InChIInChI=1S/C31H41F3N2O3.CH2O/c1-17-19-6-8-28(4)20-7-9-30(26(38)35-16-31(32,33)34)11-10-27(2,3)14-21(30)24(20)22(37)12-23(28)29(19,5)13-18-15-36-39-25(17)18;1-2/h12,15,17,19-21,24H,6-11,13-14,16H2,1-5H3,(H,35,38);1H2
InChIKeyWIXIVRUCFXADNQ-UHFFFAOYSA-N
XLogP6.60
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide?
The IUPAC name of formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide (CID 145281597) is formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide.
What is the SMILES notation for formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide?
The canonical SMILES for formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide is C=O.CC1c2oncc2CC2(C)C3=CC(=O)C4C(CCC5(C(=O)NCC(F)(F)F)CCC(C)(C)CC45)C3(C)CCC12.
What is the InChIKey of formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide?
The InChIKey is WIXIVRUCFXADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41F3N2O3.CH2O/c1-17-19-6-8-28(4)20-7-9-30(26(38)35-16-31(32,33)34)11-10-27(2,3)14-21(30)24(20)22(37)12-23(28)29(19,5)13-18-15-36-39-25(17)18;1-2/h12,15,17,19-21,24H,6-11,13-14,16H2,1-5H3,(H,35,38);1H2.
What are the key properties of formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide?
formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide has a molecular weight of 576.70 g/mol, XLogP of 6.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,8,8,15,22-pentamethyl-12-oxo-N-(2,2,2-trifluoroethyl)-20-oxa-19-azahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-13,17(21),18-triene-5-carboxamide is sourced from PubChem (CID 145281597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).