3-[4-(1-cyclopentylethylamino)phenoxy]propanamide

C16H24N2O2 — CID 62631553

IUPAC3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
SMILESCC(Nc1ccc(OCCC(N)=O)cc1)C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12(13-4-2-3-5-13)18-14-6-8-15(9-7-14)20-11-10-16(17)19/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,17,19)
InChIKeyDWBPSPGHHNMBMF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds7

About 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide

3-[4-(1-cyclopentylethylamino)phenoxy]propanamide (PubChem CID 62631553) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
PubChem CID62631553
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
SMILESCC(Nc1ccc(OCCC(N)=O)cc1)C1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12(13-4-2-3-5-13)18-14-6-8-15(9-7-14)20-11-10-16(17)19/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,17,19)
InChIKeyDWBPSPGHHNMBMF-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclohexylmethylamino)phenoxy]propanamide
CID 43676559
2-[3-(1-cyclopentylethylamino)phenoxy]acetamide
CID 62632459
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
4-(2-methoxyethoxy)-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43734119
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide (CID 62631553) is 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide is CC(Nc1ccc(OCCC(N)=O)cc1)C1CCCC1.
What is the InChIKey of 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide?
The InChIKey is DWBPSPGHHNMBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-4-2-3-5-13)18-14-6-8-15(9-7-14)20-11-10-16(17)19/h6-9,12-13,18H,2-5,10-11H2,1H3,(H2,17,19).
What are the key properties of 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide?
3-[4-(1-cyclopentylethylamino)phenoxy]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopentylethylamino)phenoxy]propanamide is sourced from PubChem (CID 62631553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).