(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide

C15H27NO3 — CID 139246889

IUPAC(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide
SMILESCCNC(=O)CCC/C=C\C[C@@H]1[C@@H](C)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H27NO3/c1-3-16-15(19)9-7-5-4-6-8-12-11(2)13(17)10-14(12)18/h4,6,11-14,17-18H,3,5,7-10H2,1-2H3,(H,16,19)/b6-4-/t11-,12-,13-,14+/m1/s1
InChIKeyYDQOQVPKOVKYDE-JZCWBKOCSA-N
MW269.38 g/mol
LogP1.62
Rot. Bonds7

About (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide (PubChem CID 139246889) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide
PubChem CID139246889
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide
SMILESCCNC(=O)CCC/C=C\C[C@@H]1[C@@H](C)[C@H](O)C[C@@H]1O
InChIInChI=1S/C15H27NO3/c1-3-16-15(19)9-7-5-4-6-8-12-11(2)13(17)10-14(12)18/h4,6,11-14,17-18H,3,5,7-10H2,1-2H3,(H,16,19)/b6-4-/t11-,12-,13-,14+/m1/s1
InChIKeyYDQOQVPKOVKYDE-JZCWBKOCSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.62
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 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide with MolForge

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Related Compounds

(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 174048671
(Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 95065785
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]hept-5-enoate
CID 139246899
7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123932006
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-propylhept-5-enamide
CID 59891448
7-[(1R,2R,3R,5S)-2-(3,3-difluoro-5-phenylpent-1-enyl)-3,5-dihydroxycyclopentyl]-N-ethylhept-5-enamide
CID 123551425
(E)-7-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]-N-(2-hydroxyethyl)hept-5-enamide
CID 166640031
O-[[(1S,2R,3S,5R)-2-[7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]methyl] N-[(3-chlorophenyl)methyl]carbamothioate
CID 173220311
[(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] pentanoate
CID 58231690
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
CID 123773671
[(E,3S)-1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] (1S)-2-(nitrooxymethyl)cyclopropane-1-carboxylate
CID 163654300
[1-[(1R,2R,3S,5R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]-3,5-dihydroxycyclopentyl]-5-phenylpent-1-en-3-yl] 2-prop-2-ynylpent-4-ynoate
CID 146484010

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide?
The IUPAC name of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide (CID 139246889) is (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide.
What is the SMILES notation for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide?
The canonical SMILES for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide is CCNC(=O)CCC/C=C\C[C@@H]1[C@@H](C)[C@H](O)C[C@@H]1O.
What is the InChIKey of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide?
The InChIKey is YDQOQVPKOVKYDE-JZCWBKOCSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-16-15(19)9-7-5-4-6-8-12-11(2)13(17)10-14(12)18/h4,6,11-14,17-18H,3,5,7-10H2,1-2H3,(H,16,19)/b6-4-/t11-,12-,13-,14+/m1/s1.
What are the key properties of (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide?
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide has a molecular weight of 269.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-methylcyclopentyl]-N-ethylhept-5-enamide is sourced from PubChem (CID 139246889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).