N-(2-methoxyethyl)-4-propan-2-ylbenzamide

C13H19NO2 — CID 2071905

IUPACN-(2-methoxyethyl)-4-propan-2-ylbenzamide
SMILESCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)11-4-6-12(7-5-11)13(15)14-8-9-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyMTFLSCBCKSVSNB-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methoxyethyl)-4-propan-2-ylbenzamide

N-(2-methoxyethyl)-4-propan-2-ylbenzamide (PubChem CID 2071905) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-propan-2-ylbenzamide
PubChem CID2071905
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-methoxyethyl)-4-propan-2-ylbenzamide
SMILESCOCCNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)11-4-6-12(7-5-11)13(15)14-8-9-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyMTFLSCBCKSVSNB-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-4-propan-2-ylbenzamide (CID 2071905) is N-(2-methoxyethyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-propan-2-ylbenzamide is COCCNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-propan-2-ylbenzamide?
The InChIKey is MTFLSCBCKSVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-4-6-12(7-5-11)13(15)14-8-9-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-4-propan-2-ylbenzamide?
N-(2-methoxyethyl)-4-propan-2-ylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 2071905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).