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

C24H29NO2 — CID 156580610

IUPAC(3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
SMILESC[C@@H]1/C=C\C=C/C=C/C=C/C=C/[C@H](O)C/C=C\C=C/C=C/C=C\C(=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)/b3-2+,7-4-,9-5-,10-6+,12-8+,15-11-,17-13-,18-14+,20-16-/t22-,23+/m1/s1
InChIKeyKPEMWDNFHKXYQE-OXPNWPCBSA-N
MW363.50 g/mol
LogP4.51
Rot. Bonds

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

(3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one (PubChem CID 156580610) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one.

Molecular Properties

Compound Name(3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
PubChem CID156580610
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
SMILESC[C@@H]1/C=C\C=C/C=C/C=C/C=C/[C@H](O)C/C=C\C=C/C=C/C=C\C(=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)/b3-2+,7-4-,9-5-,10-6+,12-8+,15-11-,17-13-,18-14+,20-16-/t22-,23+/m1/s1
InChIKeyKPEMWDNFHKXYQE-OXPNWPCBSA-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 (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The IUPAC name of (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one (CID 156580610) is (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one.
What is the SMILES notation for (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The canonical SMILES for (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one is C[C@@H]1/C=C\C=C/C=C/C=C/C=C/[C@H](O)C/C=C\C=C/C=C/C=C\C(=O)NC1.
What is the InChIKey of (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
The InChIKey is KPEMWDNFHKXYQE-OXPNWPCBSA-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)/b3-2+,7-4-,9-5-,10-6+,12-8+,15-11-,17-13-,18-14+,20-16-/t22-,23+/m1/s1.
What are the key properties of (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one?
(3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-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 (3Z,5E,7Z,9Z,12R,13E,15E,17Z,19Z,21Z,23R)-12-hydroxy-23-methyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one is sourced from PubChem (CID 156580610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).