(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide

C18H19NO2 — CID 111437309

IUPAC(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
SMILESO=C(CC/C=C/c1ccccc1)Nc1cccc(CO)c1
InChIInChI=1S/C18H19NO2/c20-14-16-10-6-11-17(13-16)19-18(21)12-5-4-9-15-7-2-1-3-8-15/h1-4,6-11,13,20H,5,12,14H2,(H,19,21)/b9-4+
InChIKeyXDGUHLJBNZVAHQ-RUDMXATFSA-N
MW281.36 g/mol
LogP3.61
Rot. Bonds6

About (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide

(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide (PubChem CID 111437309) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
PubChem CID111437309
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
SMILESO=C(CC/C=C/c1ccccc1)Nc1cccc(CO)c1
InChIInChI=1S/C18H19NO2/c20-14-16-10-6-11-17(13-16)19-18(21)12-5-4-9-15-7-2-1-3-8-15/h1-4,6-11,13,20H,5,12,14H2,(H,19,21)/b9-4+
InChIKeyXDGUHLJBNZVAHQ-RUDMXATFSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43707512
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CID 78986765
N-[3-(hydroxymethyl)phenyl]propanamide
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N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
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N-(3-benzylphenyl)-3-hydroxypropanamide
CID 142480004
N-[3-(hydroxymethyl)phenyl]but-3-enamide
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2-[3-(docosa-4,7,10,13,16,19-hexaenoylamino)phenyl]acetic acid
CID 66690979
4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
(E)-N-[4-(chloromethyl)phenyl]-7-phenylhept-6-enamide
CID 174957132
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide?
The IUPAC name of (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide (CID 111437309) is (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide?
The canonical SMILES for (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide is O=C(CC/C=C/c1ccccc1)Nc1cccc(CO)c1.
What is the InChIKey of (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide?
The InChIKey is XDGUHLJBNZVAHQ-RUDMXATFSA-N. The full InChI is InChI=1S/C18H19NO2/c20-14-16-10-6-11-17(13-16)19-18(21)12-5-4-9-15-7-2-1-3-8-15/h1-4,6-11,13,20H,5,12,14H2,(H,19,21)/b9-4+.
What are the key properties of (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide?
(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide is sourced from PubChem (CID 111437309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).