3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide

C13H20N2O2 — CID 55121493

IUPAC3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-14-8-7-13(16)15-11-5-6-12(17-3)10(2)9-11/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyRHNDBHGEFRAIJO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.94
Rot. Bonds6

About 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide

3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 55121493) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
PubChem CID55121493
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-14-8-7-13(16)15-11-5-6-12(17-3)10(2)9-11/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyRHNDBHGEFRAIJO-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 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 ≤ 51.94
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

4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
5-hydroxy-N-(4-methoxy-3-methylphenyl)pentanamide
CID 79208943
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377
tert-butyl 4-(4-methoxy-3-methylanilino)-4-oxobutanoate
CID 106707197
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
2-(2-ethoxyethoxy)-N-(4-methoxy-3-methylphenyl)acetamide
CID 86839026
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide (CID 55121493) is 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide is CCNCCC(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is RHNDBHGEFRAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-14-8-7-13(16)15-11-5-6-12(17-3)10(2)9-11/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide?
3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 55121493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).