3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide

C14H21N3O3 — CID 61093079

IUPAC3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-2-7-16-14(19)10-17-13(18)6-8-20-12-5-3-4-11(15)9-12/h3-5,9H,2,6-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRQMBUWKPVWSZIP-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds8

About 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 61093079) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID61093079
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H21N3O3/c1-2-7-16-14(19)10-17-13(18)6-8-20-12-5-3-4-11(15)9-12/h3-5,9H,2,6-8,10,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRQMBUWKPVWSZIP-UHFFFAOYSA-N
XLogP0.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
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-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 61093079) is 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is RQMBUWKPVWSZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-7-16-14(19)10-17-13(18)6-8-20-12-5-3-4-11(15)9-12/h3-5,9H,2,6-8,10,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 61093079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).