[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate

C19H25NO3 — CID 156877735

IUPAC[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate
SMILESC=C/C(=C\C=C(/C)CC)C(=O)Oc1cc(C(C)C)ccc1NO
InChIInChI=1S/C19H25NO3/c1-6-14(5)8-9-15(7-2)19(21)23-18-12-16(13(3)4)10-11-17(18)20-22/h7-13,20,22H,2,6H2,1,3-5H3/b14-8+,15-9+
InChIKeyNUPDBVVGRROTSK-VOMDNODZSA-N
MW315.41 g/mol
LogP4.99
Rot. Bonds7

About [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate

[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate (PubChem CID 156877735) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate.

Molecular Properties

Compound Name[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate
PubChem CID156877735
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate
SMILESC=C/C(=C\C=C(/C)CC)C(=O)Oc1cc(C(C)C)ccc1NO
InChIInChI=1S/C19H25NO3/c1-6-14(5)8-9-15(7-2)19(21)23-18-12-16(13(3)4)10-11-17(18)20-22/h7-13,20,22H,2,6H2,1,3-5H3/b14-8+,15-9+
InChIKeyNUPDBVVGRROTSK-VOMDNODZSA-N
XLogP4.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[2-(hydroxyamino)-5-propan-2-ylphenyl] 2,3,5-trimethyl-2,3-dihydrofuran-4-carboxylate
CID 156877827
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CID 82282797
1-[(2-methyl-5-propan-2-ylphenoxy)carbonylamino]ethyl prop-2-enoate
CID 89069181
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
CID 178062339
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
2-cyano-N-(2-methoxy-4-propan-2-ylphenyl)butanamide
CID 115188135
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
(4-butan-2-yl-2-methylphenyl) prop-2-enoate
CID 23528168
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate?
The IUPAC name of [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate (CID 156877735) is [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate.
What is the SMILES notation for [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate?
The canonical SMILES for [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate is C=C/C(=C\C=C(/C)CC)C(=O)Oc1cc(C(C)C)ccc1NO.
What is the InChIKey of [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate?
The InChIKey is NUPDBVVGRROTSK-VOMDNODZSA-N. The full InChI is InChI=1S/C19H25NO3/c1-6-14(5)8-9-15(7-2)19(21)23-18-12-16(13(3)4)10-11-17(18)20-22/h7-13,20,22H,2,6H2,1,3-5H3/b14-8+,15-9+.
What are the key properties of [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate?
[2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate has a molecular weight of 315.41 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyamino)-5-propan-2-ylphenyl] (2E,4E)-2-ethenyl-5-methylhepta-2,4-dienoate is sourced from PubChem (CID 156877735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).