N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide

C12H17NO2 — CID 5459522

IUPACN-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C12H17NO2/c1-10(12(15)13-7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyFRVDHJOLLPPOAY-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.97
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide

N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide (PubChem CID 5459522) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
PubChem CID5459522
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)NCCO
InChIInChI=1S/C12H17NO2/c1-10(12(15)13-7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15)
InChIKeyFRVDHJOLLPPOAY-UHFFFAOYSA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide (CID 5459522) is N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The InChIKey is FRVDHJOLLPPOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(12(15)13-7-8-14)9-11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 5459522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).