3-(2-aminophenoxy)propanamide

C9H12N2O2 — CID 39869131

IUPAC3-(2-aminophenoxy)propanamide
SMILESNC(=O)CCOc1ccccc1N
InChIInChI=1S/C9H12N2O2/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyBLPOLKPPEJBOIL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.52
Rot. Bonds4

About 3-(2-aminophenoxy)propanamide

3-(2-aminophenoxy)propanamide (PubChem CID 39869131) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-aminophenoxy)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)propanamide
PubChem CID39869131
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-aminophenoxy)propanamide
SMILESNC(=O)CCOc1ccccc1N
InChIInChI=1S/C9H12N2O2/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12)
InChIKeyBLPOLKPPEJBOIL-UHFFFAOYSA-N
XLogP0.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
methyl 2-amino-6-(3-amino-3-oxopropoxy)benzoate
CID 107341796
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
4-(2-ethylphenoxy)butanamide
CID 82040636
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)propanamide?
The IUPAC name of 3-(2-aminophenoxy)propanamide (CID 39869131) is 3-(2-aminophenoxy)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)propanamide is NC(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)propanamide?
The InChIKey is BLPOLKPPEJBOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H2,11,12).
What are the key properties of 3-(2-aminophenoxy)propanamide?
3-(2-aminophenoxy)propanamide has a molecular weight of 180.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)propanamide is sourced from PubChem (CID 39869131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).