N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide

C18H21NO3 — CID 126433961

IUPACN-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
SMILESC[C@H](O)c1cccc(-c2ccc(C(=O)N(C)CCO)cc2)c1
InChIInChI=1S/C18H21NO3/c1-13(21)16-4-3-5-17(12-16)14-6-8-15(9-7-14)18(22)19(2)10-11-20/h3-9,12-13,20-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyZBGWXUOSCUFQNW-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.47
Rot. Bonds5

About N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide

N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide (PubChem CID 126433961) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
PubChem CID126433961
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide
SMILESC[C@H](O)c1cccc(-c2ccc(C(=O)N(C)CCO)cc2)c1
InChIInChI=1S/C18H21NO3/c1-13(21)16-4-3-5-17(12-16)14-6-8-15(9-7-14)18(22)19(2)10-11-20/h3-9,12-13,20-21H,10-11H2,1-2H3/t13-/m0/s1
InChIKeyZBGWXUOSCUFQNW-ZDUSSCGKSA-N
XLogP2.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide (CID 126433961) is N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide is C[C@H](O)c1cccc(-c2ccc(C(=O)N(C)CCO)cc2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide?
The InChIKey is ZBGWXUOSCUFQNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(21)16-4-3-5-17(12-16)14-6-8-15(9-7-14)18(22)19(2)10-11-20/h3-9,12-13,20-21H,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide?
N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[3-[(1S)-1-hydroxyethyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 126433961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).