2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide

C13H19N3O2 — CID 79461446

IUPAC2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C13H19N3O2/c14-9-1-2-11(7-9)16-10-3-5-12(6-4-10)18-8-13(15)17/h3-6,9,11,16H,1-2,7-8,14H2,(H2,15,17)
InChIKeyPUOLEIQWZJIRMM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.84
Rot. Bonds5

About 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide

2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide (PubChem CID 79461446) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
PubChem CID79461446
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NC2CCC(N)C2)cc1
InChIInChI=1S/C13H19N3O2/c14-9-1-2-11(7-9)16-10-3-5-12(6-4-10)18-8-13(15)17/h3-6,9,11,16H,1-2,7-8,14H2,(H2,15,17)
InChIKeyPUOLEIQWZJIRMM-UHFFFAOYSA-N
XLogP0.84
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
CID 62708775
2-[4-(thian-4-ylamino)phenoxy]acetamide
CID 43711231
2-[4-[(3-propan-2-ylcyclobutyl)amino]phenoxy]acetamide
CID 103561296
2-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenoxy]acetamide
CID 43711137
2-[4-(2,3-dihydro-1H-inden-2-ylamino)phenoxy]acetamide
CID 43711232
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]acetamide
CID 61308415
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504
4-[(3-aminocyclohexyl)amino]benzoic acid
CID 79459514

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide (CID 79461446) is 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide is NC(=O)COc1ccc(NC2CCC(N)C2)cc1.
What is the InChIKey of 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide?
The InChIKey is PUOLEIQWZJIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-1-2-11(7-9)16-10-3-5-12(6-4-10)18-8-13(15)17/h3-6,9,11,16H,1-2,7-8,14H2,(H2,15,17).
What are the key properties of 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide?
2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-aminocyclopentyl)amino]phenoxy]acetamide is sourced from PubChem (CID 79461446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).