2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide

C13H18N2O3 — CID 102702513

IUPAC2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCOc1ccc(N)c(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-5-11(14)12(6-10)18-8-13(16)15-7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyJYVYBOIYICHAHE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide

2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 102702513) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID102702513
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCOc1ccc(N)c(OCC(=O)NCC2CC2)c1
InChIInChI=1S/C13H18N2O3/c1-17-10-4-5-11(14)12(6-10)18-8-13(16)15-7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyJYVYBOIYICHAHE-UHFFFAOYSA-N
XLogP1.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.18
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-(aminomethyl)-5-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 61267401
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
2-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide (CID 102702513) is 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide is COc1ccc(N)c(OCC(=O)NCC2CC2)c1.
What is the InChIKey of 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is JYVYBOIYICHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-4-5-11(14)12(6-10)18-8-13(16)15-7-9-2-3-9/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
2-(2-amino-5-methoxyphenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.18, 6 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 102702513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).