12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one

C24H29NO2 — CID 163110516

IUPAC12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
SMILESCC1C=CC=CC=CC=CC=CC(O)CC=CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C24H29NO2/c1-22-17-13-9-5-2-3-6-10-14-18-23(26)19-15-11-7-4-8-12-16-20-24(27)25-21-22/h2-18,20,22-23,26H,19,21H2,1H3,(H,25,27)
InChIKeyKPEMWDNFHKXYQE-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.51
Rot. Bonds

About 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one

12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one (PubChem CID 163110516) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one.

Molecular Properties

Compound Name12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
PubChem CID163110516
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
SMILESCC1C=CC=CC=CC=CC=CC(O)CC=CC=CC=CC=CC(=O)NC1
InChIInChI=1S/C24H29NO2/c1-22-17-13-9-5-2-3-6-10-14-18-23(26)19-15-11-7-4-8-12-16-20-24(27)25-21-22/h2-18,20,22-23,26H,19,21H2,1H3,(H,25,27)
InChIKeyKPEMWDNFHKXYQE-UHFFFAOYSA-N
XLogP4.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one with MolForge

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Related Compounds

(10R,12R,14R,26S)-10,12,14-trihydroxy-19,26-dimethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
CID 139587895
(1R,2E,4Z,6Z,11R,12Z,14E,16Z,18Z,20E,25S,26S)-25,26-dihydroxy-1,11-dimethyl-27-oxa-9-azabicyclo[22.2.1]heptacosa-2,4,6,12,14,16,18,20,23-nonaene-8,22-dione
CID 169491738
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
(3Z,5Z,8R,9Z,11Z,14R,16R,17Z,19Z,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163070469
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10949443
(3Z,5E,8R,9E,11Z,14S,16R,17E,22R)-8,14,16-trihydroxy-22-methyl-1-oxacyclodocosa-3,5,9,11,17-pentaen-2-one
CID 162913525
(3Z,5E,9E,11E,13E,15Z,17E)-8-(3-amino-4,5-dihydroxyoxan-2-yl)oxy-7-hydroxy-7,19-dimethyl-1-azacycloicosa-3,5,9,11,13,15,17-heptaen-2-one
CID 53234649
(3Z,5Z,8R,9Z,11Z,13R,14R,16R,17Z,19Z,24R)-8,13,14,16-tetrahydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 139587772
8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,19-pentaene-2,16-dione
CID 72731979
(3Z,5E,8R,9E,11Z,14S,16R,17E,19E,24S)-24-ethyl-8,14,16-trihydroxy-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 163101541
9,11-dihydroxy-15-methyl-20-octa-2,4-dienyl-1-azacycloicosa-3,5,7,13,17-pentaen-2-one
CID 163108055
(2R,5R,6Z,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 140681812

Frequently Asked Questions

What is the IUPAC name of 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The IUPAC name of 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one (CID 163110516) is 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one.
What is the SMILES notation for 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The canonical SMILES for 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one is CC1C=CC=CC=CC=CC=CC(O)CC=CC=CC=CC=CC(=O)NC1.
What is the InChIKey of 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The InChIKey is KPEMWDNFHKXYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-22-17-13-9-5-2-3-6-10-14-18-23(26)19-15-11-7-4-8-12-16-20-24(27)25-21-22/h2-18,20,22-23,26H,19,21H2,1H3,(H,25,27).
What are the key properties of 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one has a molecular weight of 363.50 g/mol, XLogP of 4.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one is sourced from PubChem (CID 163110516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).