N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide

C12H18N2O2 — CID 110834120

IUPACN-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(C)CN)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-11(6-9)16-8-12(15)14-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyKGKXNOCTYIKYHG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide

N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 110834120) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
PubChem CID110834120
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC(C)CN)c1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-5-11(6-9)16-8-12(15)14-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyKGKXNOCTYIKYHG-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-(2-amino-1-cyclopropylethyl)-2-(3-methylphenoxy)acetamide
CID 119616033
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide (CID 110834120) is N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NC(C)CN)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is KGKXNOCTYIKYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-3-5-11(6-9)16-8-12(15)14-10(2)7-13/h3-6,10H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide?
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 222.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110834120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).