N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide

C13H18N2O3 — CID 81325159

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cc(N)ccc2O)O1
InChIInChI=1S/C13H18N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h3-4,6,8,12,16H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyFBUIVWURFFOZDC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.16
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide (PubChem CID 81325159) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
PubChem CID81325159
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCc2cc(N)ccc2O)O1
InChIInChI=1S/C13H18N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h3-4,6,8,12,16H,2,5,7,14H2,1H3,(H,15,17)
InChIKeyFBUIVWURFFOZDC-UHFFFAOYSA-N
XLogP1.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81325244
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyloxolane-2-carboxamide
CID 80980336
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
5-methyl-N-(1H-pyrrol-3-ylmethyl)oxolane-2-carboxamide
CID 106385224
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
N-[1-(3-aminophenyl)ethyl]-5-methyloxolane-2-carboxamide
CID 81324524
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide (CID 81325159) is N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCc2cc(N)ccc2O)O1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is FBUIVWURFFOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-2-5-12(18-8)13(17)15-7-9-6-10(14)3-4-11(9)16/h3-4,6,8,12,16H,2,5,7,14H2,1H3,(H,15,17).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 81325159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).