3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide

C14H19N3O3 — CID 79385591

IUPAC3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
SMILESNc1ccc(OCC(=O)NCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c15-10-1-5-12(6-2-10)20-9-14(19)16-8-7-13(18)17-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyFTHGZRVSEDHUAW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.43
Rot. Bonds7

About 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide

3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide (PubChem CID 79385591) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
PubChem CID79385591
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
SMILESNc1ccc(OCC(=O)NCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c15-10-1-5-12(6-2-10)20-9-14(19)16-8-7-13(18)17-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19)(H,17,18)
InChIKeyFTHGZRVSEDHUAW-UHFFFAOYSA-N
XLogP0.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
CID 79378028
2-(4-aminophenoxy)-N-(1,1-dioxothian-4-yl)acetamide
CID 61102889
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylpropanamide;hydrochloride
CID 119741910
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
CID 119299396
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
2-(4-aminophenoxy)-N-(oxan-3-yl)acetamide
CID 55190193
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
2-(4-aminophenoxy)-N-[(1R,3R)-3-methylcyclohexyl]acetamide
CID 28689734
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide (CID 79385591) is 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide is Nc1ccc(OCC(=O)NCCC(=O)NC2CC2)cc1.
What is the InChIKey of 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide?
The InChIKey is FTHGZRVSEDHUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-10-1-5-12(6-2-10)20-9-14(19)16-8-7-13(18)17-11-3-4-11/h1-2,5-6,11H,3-4,7-9,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide?
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide has a molecular weight of 277.32 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79385591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).