(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide

C15H21NO3 — CID 122390522

IUPAC(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide
SMILESCON(C)C(=O)/C=C(\C)CC(C)c1ccccc1O
InChIInChI=1S/C15H21NO3/c1-11(10-15(18)16(3)19-4)9-12(2)13-7-5-6-8-14(13)17/h5-8,10,12,17H,9H2,1-4H3/b11-10+
InChIKeyPGRMXXDXFKWQAG-ZHACJKMWSA-N
MW263.34 g/mol
LogP2.85
Rot. Bonds5

About (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide

(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide (PubChem CID 122390522) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide
PubChem CID122390522
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide
SMILESCON(C)C(=O)/C=C(\C)CC(C)c1ccccc1O
InChIInChI=1S/C15H21NO3/c1-11(10-15(18)16(3)19-4)9-12(2)13-7-5-6-8-14(13)17/h5-8,10,12,17H,9H2,1-4H3/b11-10+
InChIKeyPGRMXXDXFKWQAG-ZHACJKMWSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-N-methyl-3-phenylpent-2-enamide
CID 135086786
(Z)-N-methoxy-N-methyl-3-phenylbut-2-enamide
CID 134920694
N-methoxy-N-methyl-3-phenylbutanamide
CID 22612044
2-butan-2-ylphenol;formaldehyde
CID 66765994
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
2-(1-fluoropropan-2-yl)phenol
CID 19048051
3-cyclopropyl-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbut-2-enamide
CID 127265601
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164892784
N-methoxy-N,3-dimethyldec-2-enamide
CID 142294776
2-(1-aminopropan-2-yl)phenol
CID 3028046
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 61044170

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide?
The IUPAC name of (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide (CID 122390522) is (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide.
What is the SMILES notation for (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide?
The canonical SMILES for (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide is CON(C)C(=O)/C=C(\C)CC(C)c1ccccc1O.
What is the InChIKey of (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide?
The InChIKey is PGRMXXDXFKWQAG-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(10-15(18)16(3)19-4)9-12(2)13-7-5-6-8-14(13)17/h5-8,10,12,17H,9H2,1-4H3/b11-10+.
What are the key properties of (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide?
(E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-hydroxyphenyl)-N-methoxy-N,3-dimethylhex-2-enamide is sourced from PubChem (CID 122390522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).