N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide

C24H35NO5 — CID 6445919

IUPACN-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide
SMILESCC1=C/C[C@H](O)/C=C\C(C)=C/C(NC(=O)C(C)O)[C@H](C)C(=O)/C(C)=C\C[C@H](O)/C=C\1
InChIInChI=1S/C24H35NO5/c1-15-6-10-20(27)12-8-16(2)14-22(25-24(30)19(5)26)18(4)23(29)17(3)9-13-21(28)11-7-15/h6-9,11-12,14,18-22,26-28H,10,13H2,1-5H3,(H,25,30)/b11-7-,12-8-,15-6-,16-14-,17-9-/t18-,19?,20-,21+,22?/m0/s1
InChIKeyWNPBZRKAWLYSOP-FMNDFTDJSA-N
MW417.55 g/mol
LogP2.52
Rot. Bonds2

About N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide

N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide (PubChem CID 6445919) has the molecular formula C24H35NO5 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide
PubChem CID6445919
Molecular FormulaC24H35NO5
Molecular Weight417.55 g/mol
Exact Mass417.25
IUPAC NameN-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide
SMILESCC1=C/C[C@H](O)/C=C\C(C)=C/C(NC(=O)C(C)O)[C@H](C)C(=O)/C(C)=C\C[C@H](O)/C=C\1
InChIInChI=1S/C24H35NO5/c1-15-6-10-20(27)12-8-16(2)14-22(25-24(30)19(5)26)18(4)23(29)17(3)9-13-21(28)11-7-15/h6-9,11-12,14,18-22,26-28H,10,13H2,1-5H3,(H,25,30)/b11-7-,12-8-,15-6-,16-14-,17-9-/t18-,19?,20-,21+,22?/m0/s1
InChIKeyWNPBZRKAWLYSOP-FMNDFTDJSA-N
XLogP2.52
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide?
The IUPAC name of N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide (CID 6445919) is N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide is CC1=C/C[C@H](O)/C=C\C(C)=C/C(NC(=O)C(C)O)[C@H](C)C(=O)/C(C)=C\C[C@H](O)/C=C\1.
What is the InChIKey of N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide?
The InChIKey is WNPBZRKAWLYSOP-FMNDFTDJSA-N. The full InChI is InChI=1S/C24H35NO5/c1-15-6-10-20(27)12-8-16(2)14-22(25-24(30)19(5)26)18(4)23(29)17(3)9-13-21(28)11-7-15/h6-9,11-12,14,18-22,26-28H,10,13H2,1-5H3,(H,25,30)/b11-7-,12-8-,15-6-,16-14-,17-9-/t18-,19?,20-,21+,22?/m0/s1.
What are the key properties of N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide?
N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide has a molecular weight of 417.55 g/mol, XLogP of 2.52, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z,6S,8Z,10Z,12S,14Z,17S)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxocycloheptadeca-2,4,8,10,14-pentaen-1-yl]-2-hydroxypropanamide is sourced from PubChem (CID 6445919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).