N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide

C18H20N2O4 — CID 657700

IUPACN-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO
InChIInChI=1S/C18H20N2O4/c21-13-12-19-17(22)10-11-18(23)20-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23)
InChIKeyWZISUNKURUPGDW-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds8

About N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide

N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide (PubChem CID 657700) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide
PubChem CID657700
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO
InChIInChI=1S/C18H20N2O4/c21-13-12-19-17(22)10-11-18(23)20-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23)
InChIKeyWZISUNKURUPGDW-UHFFFAOYSA-N
XLogP2.31
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide (CID 657700) is N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide is O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide?
The InChIKey is WZISUNKURUPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-13-12-19-17(22)10-11-18(23)20-14-6-8-16(9-7-14)24-15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,19,22)(H,20,23).
What are the key properties of N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide?
N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide has a molecular weight of 328.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-(4-phenoxyphenyl)butanediamide is sourced from PubChem (CID 657700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).