N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide

C19H23NO3 — CID 11758795

IUPACN,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide
SMILESCCN(CC)C(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H23NO3/c1-3-20(4-2)19(23)18(15-7-11-17(22)12-8-15)13-14-5-9-16(21)10-6-14/h5-12,18,21-22H,3-4,13H2,1-2H3
InChIKeyVEFAXONBJWDZOG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds6

About N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide

N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide (PubChem CID 11758795) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide
PubChem CID11758795
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide
SMILESCCN(CC)C(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H23NO3/c1-3-20(4-2)19(23)18(15-7-11-17(22)12-8-15)13-14-5-9-16(21)10-6-14/h5-12,18,21-22H,3-4,13H2,1-2H3
InChIKeyVEFAXONBJWDZOG-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide?
The IUPAC name of N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide (CID 11758795) is N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide?
The canonical SMILES for N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide is CCN(CC)C(=O)C(Cc1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide?
The InChIKey is VEFAXONBJWDZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-20(4-2)19(23)18(15-7-11-17(22)12-8-15)13-14-5-9-16(21)10-6-14/h5-12,18,21-22H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide?
N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3-bis(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 11758795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).