(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide

C25H46N2O7 — CID 89069038

IUPAC(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
SMILESCCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NC(C)CON(O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C25H46N2O7/c1-3-4-5-6-9-12-20(28)15-16-22-21(23(29)17-24(22)30)13-10-7-8-11-14-25(31)26-19(2)18-34-27(32)33/h7,10,19,21-24,29-30,32-33H,3-6,8-9,11-18H2,1-2H3,(H,26,31)/b10-7-/t19?,21-,22-,23+,24-/m1/s1
InChIKeyHTCVIFYKYSRUFU-OWQXXDIZSA-N
MW486.65 g/mol
LogP3.69
Rot. Bonds19

About (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide

(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide (PubChem CID 89069038) has the molecular formula C25H46N2O7 and a molecular weight of 486.65 g/mol. Its IUPAC name is (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
PubChem CID89069038
Molecular FormulaC25H46N2O7
Molecular Weight486.65 g/mol
Exact Mass486.33
IUPAC Name(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
SMILESCCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NC(C)CON(O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C25H46N2O7/c1-3-4-5-6-9-12-20(28)15-16-22-21(23(29)17-24(22)30)13-10-7-8-11-14-25(31)26-19(2)18-34-27(32)33/h7,10,19,21-24,29-30,32-33H,3-6,8-9,11-18H2,1-2H3,(H,26,31)/b10-7-/t19?,21-,22-,23+,24-/m1/s1
InChIKeyHTCVIFYKYSRUFU-OWQXXDIZSA-N
XLogP3.69
TPSA139.56 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.65
LogP ≤ 53.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[6-(dihydroxyamino)oxyhexyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
CID 89069037
(Z)-N-[[4-[(dihydroxyamino)oxymethyl]phenyl]methyl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide
CID 89069070
[3-[(dihydroxyamino)oxymethyl]phenyl]methyl 2-[[(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoyl]amino]propanoate
CID 89068951
(E)-7-[3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoic acid
CID 5354032
[4-[(dihydroxyamino)oxymethyl]phenyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
CID 70669084
propan-2-yl 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoate
CID 90962047
propan-2-yl (E)-9-[3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoate
CID 23382467
propan-2-yl 11-[(2R)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]undec-9-enoate
CID 91303406
(Z)-9-[(1R,2R,3R,5R)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]non-7-enoic acid
CID 70148677
2-[4-[3-(dihydroxyamino)oxypropyl]piperazin-1-yl]ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
CID 70669069
2-nitrooxypropyl 2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoylamino]acetate
CID 91283668
methyl (Z)-7-[(2R,3R)-5-hydroxy-2-(3-oxooctyl)-3-sulfanylcyclopentyl]hept-5-enoate
CID 87430254

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?
The IUPAC name of (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide (CID 89069038) is (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide.
What is the SMILES notation for (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?
The canonical SMILES for (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide is CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)NC(C)CON(O)O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?
The InChIKey is HTCVIFYKYSRUFU-OWQXXDIZSA-N. The full InChI is InChI=1S/C25H46N2O7/c1-3-4-5-6-9-12-20(28)15-16-22-21(23(29)17-24(22)30)13-10-7-8-11-14-25(31)26-19(2)18-34-27(32)33/h7,10,19,21-24,29-30,32-33H,3-6,8-9,11-18H2,1-2H3,(H,26,31)/b10-7-/t19?,21-,22-,23+,24-/m1/s1.
What are the key properties of (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide?
(Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide has a molecular weight of 486.65 g/mol, XLogP of 3.69, 19 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(dihydroxyamino)oxypropan-2-yl]-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enamide is sourced from PubChem (CID 89069038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).