N-ethyl-3-(3-methylphenoxy)propanamide

C12H17NO2 — CID 2129235

IUPACN-ethyl-3-(3-methylphenoxy)propanamide
SMILESCCNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-13-12(14)7-8-15-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeySKVDZJIUAHBYEX-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.90
Rot. Bonds5

About N-ethyl-3-(3-methylphenoxy)propanamide

N-ethyl-3-(3-methylphenoxy)propanamide (PubChem CID 2129235) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-ethyl-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-methylphenoxy)propanamide
PubChem CID2129235
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-ethyl-3-(3-methylphenoxy)propanamide
SMILESCCNC(=O)CCOc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-3-13-12(14)7-8-15-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeySKVDZJIUAHBYEX-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648
N-(3-bromo-2-methylpropyl)-3-(3-methylphenoxy)propanamide
CID 113275332
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-(4-chloro-2-ethylbutyl)-3-(3-methylphenoxy)propanamide
CID 114306528
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-(4-chloro-2-methylbutyl)-3-(3-methylphenoxy)propanamide
CID 113273658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-ethyl-3-(3-methylphenoxy)propanamide (CID 2129235) is N-ethyl-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-ethyl-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-ethyl-3-(3-methylphenoxy)propanamide is CCNC(=O)CCOc1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(3-methylphenoxy)propanamide?
The InChIKey is SKVDZJIUAHBYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-13-12(14)7-8-15-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-(3-methylphenoxy)propanamide?
N-ethyl-3-(3-methylphenoxy)propanamide has a molecular weight of 207.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2129235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).