N-ethoxy-3-(2-methylphenyl)propanamide

C12H17NO2 — CID 63290155

IUPACN-ethoxy-3-(2-methylphenyl)propanamide
SMILESCCONC(=O)CCc1ccccc1C
InChIInChI=1S/C12H17NO2/c1-3-15-13-12(14)9-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyMEKBIEIUYWNHGC-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.00
Rot. Bonds5

About N-ethoxy-3-(2-methylphenyl)propanamide

N-ethoxy-3-(2-methylphenyl)propanamide (PubChem CID 63290155) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-ethoxy-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(2-methylphenyl)propanamide
PubChem CID63290155
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-ethoxy-3-(2-methylphenyl)propanamide
SMILESCCONC(=O)CCc1ccccc1C
InChIInChI=1S/C12H17NO2/c1-3-15-13-12(14)9-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyMEKBIEIUYWNHGC-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-3-(2-methylphenoxy)propanamide
CID 60717709
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
ethyl 4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110756038
N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
ethyl 6-(2-methylphenyl)-4-oxohexanoate
CID 63900705
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
ethyl 2-[2-(2-methylphenyl)ethylamino]acetate
CID 67794588

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(2-methylphenyl)propanamide?
The IUPAC name of N-ethoxy-3-(2-methylphenyl)propanamide (CID 63290155) is N-ethoxy-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-ethoxy-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-ethoxy-3-(2-methylphenyl)propanamide is CCONC(=O)CCc1ccccc1C.
What is the InChIKey of N-ethoxy-3-(2-methylphenyl)propanamide?
The InChIKey is MEKBIEIUYWNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-13-12(14)9-8-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-ethoxy-3-(2-methylphenyl)propanamide?
N-ethoxy-3-(2-methylphenyl)propanamide has a molecular weight of 207.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 63290155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).