3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide

C13H20N2O3 — CID 62534715

IUPAC3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
SMILESCOCC(C)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O3/c1-10(9-17-2)15-11-5-3-4-6-12(11)18-8-7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyXZNPAOCUSMJRPG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.39
Rot. Bonds8

About 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide

3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide (PubChem CID 62534715) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
PubChem CID62534715
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
SMILESCOCC(C)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O3/c1-10(9-17-2)15-11-5-3-4-6-12(11)18-8-7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyXZNPAOCUSMJRPG-UHFFFAOYSA-N
XLogP1.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
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CID 62534500
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(heptan-4-ylamino)phenoxy]propanamide
CID 43729781
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
CID 79538032
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide (CID 62534715) is 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide is COCC(C)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide?
The InChIKey is XZNPAOCUSMJRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(9-17-2)15-11-5-3-4-6-12(11)18-8-7-13(14)16/h3-6,10,15H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide?
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide is sourced from PubChem (CID 62534715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).