N-[(5-amino-2-hydroxyphenyl)methyl]propanamide

C10H14N2O2 — CID 43548596

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C10H14N2O2/c1-2-10(14)12-6-7-5-8(11)3-4-9(7)13/h3-5,13H,2,6,11H2,1H3,(H,12,14)
InChIKeyGRFWCFTZUJYFAE-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.00
Rot. Bonds3

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

N-[(5-amino-2-hydroxyphenyl)methyl]propanamide (PubChem CID 43548596) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]propanamide
PubChem CID43548596
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]propanamide
SMILESCCC(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C10H14N2O2/c1-2-10(14)12-6-7-5-8(11)3-4-9(7)13/h3-5,13H,2,6,11H2,1H3,(H,12,14)
InChIKeyGRFWCFTZUJYFAE-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
CID 60773770
N-[(5-amino-2-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 43548608
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
CID 81325159
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]propanamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]propanamide (CID 43548596) is N-[(5-amino-2-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]propanamide is CCC(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]propanamide?
The InChIKey is GRFWCFTZUJYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-10(14)12-6-7-5-8(11)3-4-9(7)13/h3-5,13H,2,6,11H2,1H3,(H,12,14).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]propanamide?
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide has a molecular weight of 194.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 43548596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).