(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide

C18H19NO3 — CID 110001866

IUPAC(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)11-12-18(21)19-16(13-20)14-7-3-2-4-8-14/h2-12,16,20H,13H2,1H3,(H,19,21)/b12-11+/t16-/m1/s1
InChIKeyPMFFUBRCNXZQBK-LPQFERQCSA-N
MW297.35 g/mol
LogP2.56
Rot. Bonds6

About (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 110001866) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID110001866
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)11-12-18(21)19-16(13-20)14-7-3-2-4-8-14/h2-12,16,20H,13H2,1H3,(H,19,21)/b12-11+/t16-/m1/s1
InChIKeyPMFFUBRCNXZQBK-LPQFERQCSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
3-(2-bromophenyl)-N-(2-hydroxy-1-phenylethyl)prop-2-enamide
CID 76988022
(E)-N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 132653574
(E)-N-[1-(4-butan-2-ylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 17371624
(E)-N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 40618833
3-methoxy-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 81077200
(2R)-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-3-methylbutanoic acid
CID 79011008
(E)-N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 133161398
(E)-3-(2-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]prop-2-enamide
CID 99998752
[(2R)-2-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8936521
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]but-2-enamide
CID 102059297
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 26618934

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 110001866) is (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is PMFFUBRCNXZQBK-LPQFERQCSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-17-10-6-5-9-15(17)11-12-18(21)19-16(13-20)14-7-3-2-4-8-14/h2-12,16,20H,13H2,1H3,(H,19,21)/b12-11+/t16-/m1/s1.
What are the key properties of (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 297.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 110001866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).