N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide

C18H20N2O4 — CID 143910159

IUPACN-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)/N=C(\N)c2cccc(CO)c2C)ccc1O
InChIInChI=1S/C18H20N2O4/c1-3-24-16-9-12(7-8-15(16)22)18(23)20-17(19)14-6-4-5-13(10-21)11(14)2/h4-9,21-22H,3,10H2,1-2H3,(H2,19,20,23)
InChIKeyHCMVYRSBVOTRON-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.14
Rot. Bonds5

About N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide

N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide (PubChem CID 143910159) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide
PubChem CID143910159
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)/N=C(\N)c2cccc(CO)c2C)ccc1O
InChIInChI=1S/C18H20N2O4/c1-3-24-16-9-12(7-8-15(16)22)18(23)20-17(19)14-6-4-5-13(10-21)11(14)2/h4-9,21-22H,3,10H2,1-2H3,(H2,19,20,23)
InChIKeyHCMVYRSBVOTRON-UHFFFAOYSA-N
XLogP2.14
TPSA105.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
CID 143910203
(3-ethoxy-4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 122601329
N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 146301946
ethyl 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate
CID 103601084
2-amino-3-ethoxybenzamide
CID 70121071
4-amino-2-ethoxyphenol
CID 12856010
2-(3-ethoxy-4-hydroxyphenyl)-N'-hydroxyethanimidamide
CID 59395610
N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
CID 143910002
2-(3-ethoxy-4-hydroxyphenyl)ethanimidamide
CID 91756255
N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
CID 143910129
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188

Frequently Asked Questions

What is the IUPAC name of N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide?
The IUPAC name of N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide (CID 143910159) is N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide.
What is the SMILES notation for N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide?
The canonical SMILES for N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide is CCOc1cc(C(=O)/N=C(\N)c2cccc(CO)c2C)ccc1O.
What is the InChIKey of N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide?
The InChIKey is HCMVYRSBVOTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-24-16-9-12(7-8-15(16)22)18(23)20-17(19)14-6-4-5-13(10-21)11(14)2/h4-9,21-22H,3,10H2,1-2H3,(H2,19,20,23).
What are the key properties of N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide?
N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[3-(hydroxymethyl)-2-methylphenyl]methylidene]-3-ethoxy-4-hydroxybenzamide is sourced from PubChem (CID 143910159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).