(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide

C16H27NO2 — CID 58223639

IUPAC(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide
SMILESC=CC[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C
InChIInChI=1S/C16H27NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-9,11-15H,1,7,10H2,2-5H3,(H,17,18)/b9-8-/t12-,13+,14+,15-/m0/s1
InChIKeyBWRTVSRGMVEUOD-JKAILLJXSA-N
MW265.40 g/mol
LogP3.07
Rot. Bonds5

About (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide

(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide (PubChem CID 58223639) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide
PubChem CID58223639
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide
SMILESC=CC[C@@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]1C
InChIInChI=1S/C16H27NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-9,11-15H,1,7,10H2,2-5H3,(H,17,18)/b9-8-/t12-,13+,14+,15-/m0/s1
InChIKeyBWRTVSRGMVEUOD-JKAILLJXSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide (CID 58223639) is (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide is C=CC[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-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide?
The InChIKey is BWRTVSRGMVEUOD-JKAILLJXSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-9,11-15H,1,7,10H2,2-5H3,(H,17,18)/b9-8-/t12-,13+,14+,15-/m0/s1.
What are the key properties of (Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide?
(Z)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide has a molecular weight of 265.40 g/mol, XLogP of 3.07, 5 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-prop-2-enyloxan-3-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 58223639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).