N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide

C13H20N2O2 — CID 62659653

IUPACN-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCNCCNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15-8-7-14-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyZMIXHNLBSDBMQQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.10
Rot. Bonds7

About N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide

N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 62659653) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
PubChem CID62659653
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC NameN-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCNCCNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15-8-7-14-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyZMIXHNLBSDBMQQ-UHFFFAOYSA-N
XLogP1.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
(3-methylphenyl) N-[2-(methylamino)ethyl]carbamate
CID 83820443
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide (CID 62659653) is N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide is CNCCNC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is ZMIXHNLBSDBMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15-8-7-14-2/h3-5,10,14H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide?
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 62659653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).