N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide

C13H20N2O2 — CID 55149658

IUPACN-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15(2)8-7-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeyOECLHMZDFXCGHU-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.18
Rot. Bonds6

About N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide

N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide (PubChem CID 55149658) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
PubChem CID55149658
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)N(C)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15(2)8-7-14/h3-5,10H,6-9,14H2,1-2H3
InChIKeyOECLHMZDFXCGHU-UHFFFAOYSA-N
XLogP1.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
5-amino-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]pentanamide
CID 82011195
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide (CID 55149658) is N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)N(C)CCN)c1.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide?
The InChIKey is OECLHMZDFXCGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-4-3-5-12(10-11)17-9-6-13(16)15(2)8-7-14/h3-5,10H,6-9,14H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide?
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 55149658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).