2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide

C13H20N2O3 — CID 102702350

IUPAC2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N)c(OC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-8(2)15-13(16)9(3)18-12-7-10(17-4)5-6-11(12)14/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyGHOULUHZICMJCF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide

2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide (PubChem CID 102702350) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
PubChem CID102702350
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1ccc(N)c(OC(C)C(=O)NC(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-8(2)15-13(16)9(3)18-12-7-10(17-4)5-6-11(12)14/h5-9H,14H2,1-4H3,(H,15,16)
InChIKeyGHOULUHZICMJCF-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-tert-butylpropanamide
CID 102702269
(2S)-2-(2-acetyl-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 32886949
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 114252443
2-(2-amino-4-methoxyphenoxy)-N-tert-butylpropanamide
CID 43116016
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-chloro-2-(2,4-dimethoxyphenyl)-N-propan-2-ylacetamide
CID 55048004
2-(2-acetyl-5-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 115279935
2-[1-(dimethylamino)ethoxy]-4-methoxyaniline
CID 18980088
2,4-dimethoxyaniline;3-oxobutanoic acid
CID 70522246
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide (CID 102702350) is 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide is COc1ccc(N)c(OC(C)C(=O)NC(C)C)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is GHOULUHZICMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)15-13(16)9(3)18-12-7-10(17-4)5-6-11(12)14/h5-9H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide?
2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 102702350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).