7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide

C23H41NO3 — CID 67657111

IUPAC7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide
SMILESCC(C)NC(=O)CCCC=CC[C@H]1[C@H](O)CC[C@H]1C=CCCCCCCO
InChIInChI=1S/C23H41NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,19-22,25-26H,3-5,7-8,11-12,14-18H2,1-2H3,(H,24,27)/t20-,21-,22-/m1/s1
InChIKeyWRLHFYVIGHAVOF-YPAWHYETSA-N
MW379.59 g/mol
LogP4.51
Rot. Bonds14

About 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide

7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide (PubChem CID 67657111) has the molecular formula C23H41NO3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide.

Molecular Properties

Compound Name7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide
PubChem CID67657111
Molecular FormulaC23H41NO3
Molecular Weight379.59 g/mol
Exact Mass379.31
IUPAC Name7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide
SMILESCC(C)NC(=O)CCCC=CC[C@H]1[C@H](O)CC[C@H]1C=CCCCCCCO
InChIInChI=1S/C23H41NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,19-22,25-26H,3-5,7-8,11-12,14-18H2,1-2H3,(H,24,27)/t20-,21-,22-/m1/s1
InChIKeyWRLHFYVIGHAVOF-YPAWHYETSA-N
XLogP4.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide with MolForge

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Related Compounds

methyl (Z)-7-[(2R,3R,5S)-5-hydroxy-2-[(E)-8-hydroxyoct-1-enyl]-3-methoxycyclopentyl]hept-5-enoate
CID 67583848
7-[(1R,2S,5R)-2-hydroxy-5-(3-hydroxy-4-methylhept-1-enyl)cyclopentyl]hept-5-enoic acid
CID 57008385
methyl (E)-7-[2-hydroxy-5-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoate
CID 14214746
(5Z,8Z,11Z,14Z)-19-isothiocyanato-N-propan-2-ylnonadeca-5,8,11,14-tetraenamide
CID 11668227
(Z)-7-[(1R,2R,5S)-2-[(E)-4-cyclopentyl-3-hydroxy-3-methylbut-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 70613609
7-[(1R,2S,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopent-3-en-1-yl]hept-5-enoic acid
CID 67703843
7-[(1R,2R)-2-[(3S)-5-(4-bromo-5-methylthiophen-2-yl)-3-hydroxypent-1-enyl]-5-hydroxycyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide
CID 91023068
6-[2-hydroxy-5-(3-oxooct-1-enyl)cyclopentyl]hex-4-enoic acid
CID 57257251
(E)-7-[2-[(Z)-4-ethyl-3-hydroxyoct-1-enyl]-5-hydroxycyclopentyl]hept-5-enoic acid
CID 149434844
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
7-[(1R,5R)-2-hydroxy-5-[(3R)-3-hydroxy-4-(5-methylthiophen-2-yl)sulfanylbut-1-enyl]cyclopentyl]hept-5-enoic acid
CID 90760295

Frequently Asked Questions

What is the IUPAC name of 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide?
The IUPAC name of 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide (CID 67657111) is 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide.
What is the SMILES notation for 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide?
The canonical SMILES for 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide is CC(C)NC(=O)CCCC=CC[C@H]1[C@H](O)CC[C@H]1C=CCCCCCCO.
What is the InChIKey of 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide?
The InChIKey is WRLHFYVIGHAVOF-YPAWHYETSA-N. The full InChI is InChI=1S/C23H41NO3/c1-19(2)24-23(27)15-11-7-6-10-14-21-20(16-17-22(21)26)13-9-5-3-4-8-12-18-25/h6,9-10,13,19-22,25-26H,3-5,7-8,11-12,14-18H2,1-2H3,(H,24,27)/t20-,21-,22-/m1/s1.
What are the key properties of 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide?
7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide has a molecular weight of 379.59 g/mol, XLogP of 4.51, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,2R,5S)-2-hydroxy-5-(8-hydroxyoct-1-enyl)cyclopentyl]-N-propan-2-ylhept-5-enamide is sourced from PubChem (CID 67657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).