(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide

C16H23NO2 — CID 110025962

IUPAC(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)NCC(O)c1cccc(C)c1
InChIInChI=1S/C16H23NO2/c1-5-12(3)13(4)16(19)17-10-15(18)14-8-6-7-11(2)9-14/h6-9,15,18H,5,10H2,1-4H3,(H,17,19)/b13-12-
InChIKeyUREWMQOSTNUGOC-SEYXRHQNSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds5

About (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide

(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide (PubChem CID 110025962) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
PubChem CID110025962
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)NCC(O)c1cccc(C)c1
InChIInChI=1S/C16H23NO2/c1-5-12(3)13(4)16(19)17-10-15(18)14-8-6-7-11(2)9-14/h6-9,15,18H,5,10H2,1-4H3,(H,17,19)/b13-12-
InChIKeyUREWMQOSTNUGOC-SEYXRHQNSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
CID 110025845
N-[2-hydroxy-2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 110012074
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
1-(3-methylphenyl)-2-(propylamino)ethanol
CID 62774312
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
2-(2-aminoethylamino)-1-(3-methylphenyl)ethanol
CID 21482954
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide?
The IUPAC name of (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide (CID 110025962) is (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide?
The canonical SMILES for (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide is CC/C(C)=C(/C)C(=O)NCC(O)c1cccc(C)c1.
What is the InChIKey of (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide?
The InChIKey is UREWMQOSTNUGOC-SEYXRHQNSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-12(3)13(4)16(19)17-10-15(18)14-8-6-7-11(2)9-14/h6-9,15,18H,5,10H2,1-4H3,(H,17,19)/b13-12-.
What are the key properties of (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide?
(Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide has a molecular weight of 261.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-hydroxy-2-(3-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide is sourced from PubChem (CID 110025962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).