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

C14H20N2O2 — CID 60773770

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
SMILESNc1ccc(O)c(CNC(=O)CC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-5-6-13(17)11(8-12)9-16-14(18)7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9,15H2,(H,16,18)
InChIKeyYKXPMPVDTGGOOY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds4

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

N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide (PubChem CID 60773770) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
PubChem CID60773770
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide
SMILESNc1ccc(O)c(CNC(=O)CC2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c15-12-5-6-13(17)11(8-12)9-16-14(18)7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9,15H2,(H,16,18)
InChIKeyYKXPMPVDTGGOOY-UHFFFAOYSA-N
XLogP2.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
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]propanamide
CID 43548596
1-[(5-amino-2-hydroxyphenyl)methyl]-3-cyclopropylurea
CID 62697958
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyloxolane-2-carboxamide
CID 81325159
N-[(5-amino-2-hydroxyphenyl)methyl]octanamide
CID 43548602
N-[(5-amino-2-hydroxyphenyl)methyl]azepane-1-carboxamide
CID 79152962
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-cyclohexylacetamide
CID 79531500
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-cycloheptylacetamide
CID 114456992
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
2-cyclopropyl-N-[2-[(3,4-dihydroxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 143041752

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide (CID 60773770) is N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide is Nc1ccc(O)c(CNC(=O)CC2CCCC2)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide?
The InChIKey is YKXPMPVDTGGOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-5-6-13(17)11(8-12)9-16-14(18)7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9,15H2,(H,16,18).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-2-cyclopentylacetamide has a molecular weight of 248.33 g/mol, XLogP of 2.17, 4 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]-2-cyclopentylacetamide is sourced from PubChem (CID 60773770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).