2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide

C13H19N3O3 — CID 61464065

IUPAC2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-9(13(18)15-2)16-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYBMRBMRVZSZPMQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.29
Rot. Bonds6

About 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide

2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide (PubChem CID 61464065) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
PubChem CID61464065
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H19N3O3/c1-9(13(18)15-2)16-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYBMRBMRVZSZPMQ-UHFFFAOYSA-N
XLogP0.29
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.29
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-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
3-(3-aminophenoxy)-N-pent-4-yn-2-ylpropanamide
CID 113476877
3-(3-aminophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106281064
3-(3-aminophenoxy)-N-octan-4-ylpropanamide
CID 106021745
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
3-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-methylpropanamide
CID 63365492
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide?
The IUPAC name of 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide (CID 61464065) is 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide?
The canonical SMILES for 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide?
The InChIKey is YBMRBMRVZSZPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(13(18)15-2)16-12(17)6-7-19-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide?
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide is sourced from PubChem (CID 61464065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).