(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide

C18H26N2O3 — CID 146207294

IUPAC(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
SMILESC=C(/C=C(\NC)C(=O)NC(CCO)c1cccc(OC)c1)CC
InChIInChI=1S/C18H26N2O3/c1-5-13(2)11-17(19-3)18(22)20-16(9-10-21)14-7-6-8-15(12-14)23-4/h6-8,11-12,16,19,21H,2,5,9-10H2,1,3-4H3,(H,20,22)/b17-11-
InChIKeyDXEYLEDNPZNKTG-BOPFTXTBSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds9

About (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide

(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide (PubChem CID 146207294) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
PubChem CID146207294
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide
SMILESC=C(/C=C(\NC)C(=O)NC(CCO)c1cccc(OC)c1)CC
InChIInChI=1S/C18H26N2O3/c1-5-13(2)11-17(19-3)18(22)20-16(9-10-21)14-7-6-8-15(12-14)23-4/h6-8,11-12,16,19,21H,2,5,9-10H2,1,3-4H3,(H,20,22)/b17-11-
InChIKeyDXEYLEDNPZNKTG-BOPFTXTBSA-N
XLogP2.30
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
(2E,4Z,6Z)-6-[1-(3-methoxyphenyl)ethyl]-N,2,4-trimethylnona-2,4,6-trienamide
CID 131997301
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
5-(3-methoxyphenyl)hex-5-en-3-one
CID 143913597
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-4-(1H-indazol-5-yl)pyridine-2-carboxamide
CID 146208862
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide?
The IUPAC name of (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide (CID 146207294) is (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide.
What is the SMILES notation for (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide?
The canonical SMILES for (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide is C=C(/C=C(\NC)C(=O)NC(CCO)c1cccc(OC)c1)CC.
What is the InChIKey of (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide?
The InChIKey is DXEYLEDNPZNKTG-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-5-13(2)11-17(19-3)18(22)20-16(9-10-21)14-7-6-8-15(12-14)23-4/h6-8,11-12,16,19,21H,2,5,9-10H2,1,3-4H3,(H,20,22)/b17-11-.
What are the key properties of (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide?
(Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 2.30, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(methylamino)-4-methylidenehex-2-enamide is sourced from PubChem (CID 146207294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).