(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide

C19H31NO2 — CID 58223646

IUPAC(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide
SMILESC=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C
InChIInChI=1S/C19H31NO2/c1-7-14(4)9-10-18-15(5)12-17(16(6)22-18)20-19(21)11-8-13(2)3/h7-9,11,13,15-18H,1,10,12H2,2-6H3,(H,20,21)/b11-8-,14-9+/t15-,16+,17+,18-/m0/s1
InChIKeyPNBCNHZDRQWAAU-VEHHIXETSA-N
MW305.46 g/mol
LogP4.02
Rot. Bonds6

About (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide

(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide (PubChem CID 58223646) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide
PubChem CID58223646
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide
SMILESC=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C
InChIInChI=1S/C19H31NO2/c1-7-14(4)9-10-18-15(5)12-17(16(6)22-18)20-19(21)11-8-13(2)3/h7-9,11,13,15-18H,1,10,12H2,2-6H3,(H,20,21)/b11-8-,14-9+/t15-,16+,17+,18-/m0/s1
InChIKeyPNBCNHZDRQWAAU-VEHHIXETSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide (CID 58223646) is (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide is C=C/C(C)=C/C[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C.
What is the InChIKey of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide?
The InChIKey is PNBCNHZDRQWAAU-VEHHIXETSA-N. The full InChI is InChI=1S/C19H31NO2/c1-7-14(4)9-10-18-15(5)12-17(16(6)22-18)20-19(21)11-8-13(2)3/h7-9,11,13,15-18H,1,10,12H2,2-6H3,(H,20,21)/b11-8-,14-9+/t15-,16+,17+,18-/m0/s1.
What are the key properties of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide?
(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide has a molecular weight of 305.46 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 58223646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).