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

C15H21N3O3 — CID 79378028

IUPAC4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
SMILESNc1cccc(OCC(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O3/c16-11-3-1-4-13(9-11)21-10-15(20)17-8-2-5-14(19)18-12-6-7-12/h1,3-4,9,12H,2,5-8,10,16H2,(H,17,20)(H,18,19)
InChIKeyZAUQOQBQEWOZSP-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.82
Rot. Bonds8

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

4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide (PubChem CID 79378028) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
PubChem CID79378028
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
SMILESNc1cccc(OCC(=O)NCCCC(=O)NC2CC2)c1
InChIInChI=1S/C15H21N3O3/c16-11-3-1-4-13(9-11)21-10-15(20)17-8-2-5-14(19)18-12-6-7-12/h1,3-4,9,12H,2,5-8,10,16H2,(H,17,20)(H,18,19)
InChIKeyZAUQOQBQEWOZSP-UHFFFAOYSA-N
XLogP0.82
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
3-[[2-(4-aminophenoxy)acetyl]amino]-N-cyclopropylpropanamide
CID 79385591
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
2-[3-(2-aminoethyl)phenoxy]-N-cyclopropylacetamide
CID 54930762
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide (CID 79378028) is 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide is Nc1cccc(OCC(=O)NCCCC(=O)NC2CC2)c1.
What is the InChIKey of 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide?
The InChIKey is ZAUQOQBQEWOZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-11-3-1-4-13(9-11)21-10-15(20)17-8-2-5-14(19)18-12-6-7-12/h1,3-4,9,12H,2,5-8,10,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide?
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide has a molecular weight of 291.35 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79378028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).