N,N-diethyl-4-formylbenzamide

C12H15NO2 — CID 10954698

IUPACN,N-diethyl-4-formylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-7-5-10(9-14)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeyOTGRTWQLBHAZFG-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.98
Rot. Bonds4

About N,N-diethyl-4-formylbenzamide

N,N-diethyl-4-formylbenzamide (PubChem CID 10954698) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N,N-diethyl-4-formylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-formylbenzamide
PubChem CID10954698
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN,N-diethyl-4-formylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-7-5-10(9-14)6-8-11/h5-9H,3-4H2,1-2H3
InChIKeyOTGRTWQLBHAZFG-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-formylbenzamide?
The IUPAC name of N,N-diethyl-4-formylbenzamide (CID 10954698) is N,N-diethyl-4-formylbenzamide.
What is the SMILES notation for N,N-diethyl-4-formylbenzamide?
The canonical SMILES for N,N-diethyl-4-formylbenzamide is CCN(CC)C(=O)c1ccc(C=O)cc1.
What is the InChIKey of N,N-diethyl-4-formylbenzamide?
The InChIKey is OTGRTWQLBHAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-13(4-2)12(15)11-7-5-10(9-14)6-8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-formylbenzamide?
N,N-diethyl-4-formylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-formylbenzamide is sourced from PubChem (CID 10954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).