N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide

C18H18N2O3 — CID 740409

IUPACN-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=C/C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-20(2)14-10-7-13(8-11-14)9-12-17(22)19-18(23)15-5-3-4-6-16(15)21/h3-12,21H,1-2H3,(H,19,22,23)/b12-9+
InChIKeyOUOXWGOIQRXHGN-FMIVXFBMSA-N
MW310.35 g/mol
LogP2.43
Rot. Bonds4

About N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide

N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 740409) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
PubChem CID740409
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide
SMILESCN(C)c1ccc(/C=C/C(=O)NC(=O)c2ccccc2O)cc1
InChIInChI=1S/C18H18N2O3/c1-20(2)14-10-7-13(8-11-14)9-12-17(22)19-18(23)15-5-3-4-6-16(15)21/h3-12,21H,1-2H3,(H,19,22,23)/b12-9+
InChIKeyOUOXWGOIQRXHGN-FMIVXFBMSA-N
XLogP2.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide (CID 740409) is N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide is CN(C)c1ccc(/C=C/C(=O)NC(=O)c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is OUOXWGOIQRXHGN-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(2)14-10-7-13(8-11-14)9-12-17(22)19-18(23)15-5-3-4-6-16(15)21/h3-12,21H,1-2H3,(H,19,22,23)/b12-9+.
What are the key properties of N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide?
N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 740409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).