N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine

C21H24N2O3 — CID 163940368

IUPACN-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine
SMILESNc1cc(COc2ccc3c(c2)OCC(NO)=C3)ccc1C1CCCC1
InChIInChI=1S/C21H24N2O3/c22-20-9-14(5-8-19(20)15-3-1-2-4-15)12-25-18-7-6-16-10-17(23-24)13-26-21(16)11-18/h5-11,15,23-24H,1-4,12-13,22H2
InChIKeyRQLZWPJNJFHZOH-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.22
Rot. Bonds5

About N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine

N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine (PubChem CID 163940368) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine
PubChem CID163940368
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine
SMILESNc1cc(COc2ccc3c(c2)OCC(NO)=C3)ccc1C1CCCC1
InChIInChI=1S/C21H24N2O3/c22-20-9-14(5-8-19(20)15-3-1-2-4-15)12-25-18-7-6-16-10-17(23-24)13-26-21(16)11-18/h5-11,15,23-24H,1-4,12-13,22H2
InChIKeyRQLZWPJNJFHZOH-UHFFFAOYSA-N
XLogP4.22
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine?
The IUPAC name of N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine (CID 163940368) is N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine.
What is the SMILES notation for N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine?
The canonical SMILES for N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine is Nc1cc(COc2ccc3c(c2)OCC(NO)=C3)ccc1C1CCCC1.
What is the InChIKey of N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine?
The InChIKey is RQLZWPJNJFHZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-20-9-14(5-8-19(20)15-3-1-2-4-15)12-25-18-7-6-16-10-17(23-24)13-26-21(16)11-18/h5-11,15,23-24H,1-4,12-13,22H2.
What are the key properties of N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine?
N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine has a molecular weight of 352.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(3-amino-4-cyclopentylphenyl)methoxy]-2H-chromen-3-yl]hydroxylamine is sourced from PubChem (CID 163940368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).