N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide

C18H18N2O3 — CID 5056113

IUPACN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
SMILESC=CCc1cccc(C=NNC(=O)c2ccccc2OC)c1O
InChIInChI=1S/C18H18N2O3/c1-3-7-13-8-6-9-14(17(13)21)12-19-20-18(22)15-10-4-5-11-16(15)23-2/h3-6,8-12,21H,1,7H2,2H3,(H,20,22)
InChIKeyBRHXIRUIPFURDO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.89
Rot. Bonds6

About N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide

N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 5056113) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
PubChem CID5056113
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
SMILESC=CCc1cccc(C=NNC(=O)c2ccccc2OC)c1O
InChIInChI=1S/C18H18N2O3/c1-3-7-13-8-6-9-14(17(13)21)12-19-20-18(22)15-10-4-5-11-16(15)23-2/h3-6,8-12,21H,1,7H2,2H3,(H,20,22)
InChIKeyBRHXIRUIPFURDO-UHFFFAOYSA-N
XLogP2.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide
CID 135472749
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 136663063
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
N-[(E)-(3,5-dichloro-2,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 136712147
5-bromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 1120113
3,5-dibromo-2-hydroxy-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 2180490
3-benzamido-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135957409

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide (CID 5056113) is N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide is C=CCc1cccc(C=NNC(=O)c2ccccc2OC)c1O.
What is the InChIKey of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is BRHXIRUIPFURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-7-13-8-6-9-14(17(13)21)12-19-20-18(22)15-10-4-5-11-16(15)23-2/h3-6,8-12,21H,1,7H2,2H3,(H,20,22).
What are the key properties of N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide?
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 5056113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).