N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide

C14H21NO2 — CID 46914570

IUPACN,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)14(17)11-7-8-13(16)12(9-11)10(3)4/h7-10,16H,5-6H2,1-4H3
InChIKeyWKFPSUSQLAHQDS-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.00
Rot. Bonds4

About N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide

N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide (PubChem CID 46914570) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide
PubChem CID46914570
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(O)c(C(C)C)c1
InChIInChI=1S/C14H21NO2/c1-5-15(6-2)14(17)11-7-8-13(16)12(9-11)10(3)4/h7-10,16H,5-6H2,1-4H3
InChIKeyWKFPSUSQLAHQDS-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide?
The IUPAC name of N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide (CID 46914570) is N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide.
What is the SMILES notation for N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide?
The canonical SMILES for N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide is CCN(CC)C(=O)c1ccc(O)c(C(C)C)c1.
What is the InChIKey of N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide?
The InChIKey is WKFPSUSQLAHQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-15(6-2)14(17)11-7-8-13(16)12(9-11)10(3)4/h7-10,16H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide?
N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydroxy-3-propan-2-ylbenzamide is sourced from PubChem (CID 46914570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).