N-benzyl-N-ethyl-2,4-dihydroxybenzamide

C16H17NO3 — CID 103600403

IUPACN-benzyl-N-ethyl-2,4-dihydroxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H17NO3/c1-2-17(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)19/h3-10,18-19H,2,11H2,1H3
InChIKeyNNYREDCQHMXRPT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds4

About N-benzyl-N-ethyl-2,4-dihydroxybenzamide

N-benzyl-N-ethyl-2,4-dihydroxybenzamide (PubChem CID 103600403) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,4-dihydroxybenzamide
PubChem CID103600403
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-benzyl-N-ethyl-2,4-dihydroxybenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H17NO3/c1-2-17(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)19/h3-10,18-19H,2,11H2,1H3
InChIKeyNNYREDCQHMXRPT-UHFFFAOYSA-N
XLogP2.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,4-dihydroxybenzamide?
The IUPAC name of N-benzyl-N-ethyl-2,4-dihydroxybenzamide (CID 103600403) is N-benzyl-N-ethyl-2,4-dihydroxybenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,4-dihydroxybenzamide?
The canonical SMILES for N-benzyl-N-ethyl-2,4-dihydroxybenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-benzyl-N-ethyl-2,4-dihydroxybenzamide?
The InChIKey is NNYREDCQHMXRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-17(11-12-6-4-3-5-7-12)16(20)14-9-8-13(18)10-15(14)19/h3-10,18-19H,2,11H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2,4-dihydroxybenzamide?
N-benzyl-N-ethyl-2,4-dihydroxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,4-dihydroxybenzamide is sourced from PubChem (CID 103600403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).