3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide

C15H22N2O3 — CID 62523597

IUPAC3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
SMILESNc1ccccc1OCCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C15H22N2O3/c16-12-5-1-2-6-13(12)20-10-7-14(19)17-15(11-18)8-3-4-9-15/h1-2,5-6,18H,3-4,7-11,16H2,(H,17,19)
InChIKeyROBGERXNSCXNMA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.46
Rot. Bonds6

About 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide

3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 62523597) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID62523597
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
SMILESNc1ccccc1OCCC(=O)NC1(CO)CCCC1
InChIInChI=1S/C15H22N2O3/c16-12-5-1-2-6-13(12)20-10-7-14(19)17-15(11-18)8-3-4-9-15/h1-2,5-6,18H,3-4,7-11,16H2,(H,17,19)
InChIKeyROBGERXNSCXNMA-UHFFFAOYSA-N
XLogP1.46
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
3-(2-aminophenoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65103822
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
CID 119565773
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
3-(2-aminophenoxy)-N-cyclohexylpropanamide
CID 54915855
1-[3-(2-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43350973
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
3-(2-aminophenoxy)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62524628
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide (CID 62523597) is 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide is Nc1ccccc1OCCC(=O)NC1(CO)CCCC1.
What is the InChIKey of 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is ROBGERXNSCXNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-12-5-1-2-6-13(12)20-10-7-14(19)17-15(11-18)8-3-4-9-15/h1-2,5-6,18H,3-4,7-11,16H2,(H,17,19).
What are the key properties of 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide is sourced from PubChem (CID 62523597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).