N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide

C13H20N2O2 — CID 119998062

IUPACN-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10-4-3-5-12(6-10)17-9-13(16)15-8-11(2)7-14/h3-6,11H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyUQOPMLXLVKPZFV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide

N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide (PubChem CID 119998062) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
PubChem CID119998062
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10-4-3-5-12(6-10)17-9-13(16)15-8-11(2)7-14/h3-6,11H,7-9,14H2,1-2H3,(H,15,16)
InChIKeyUQOPMLXLVKPZFV-UHFFFAOYSA-N
XLogP1.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(3-bromophenoxy)acetamide;hydrochloride
CID 119997634
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
N-(3-amino-2-methylpropyl)-2-(6-bromonaphthalen-2-yl)oxyacetamide
CID 119996539
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-(3-amino-2-methylpropyl)-2-(4-ethylphenoxy)acetamide
CID 119996402
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide (CID 119998062) is N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(C)CN)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is UQOPMLXLVKPZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-3-5-12(6-10)17-9-13(16)15-8-11(2)7-14/h3-6,11H,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide?
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 119998062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).