2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride

C12H19Cl2NO — CID 174557988

IUPAC2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCC(C)C(=O)NCCc1ccccc1.Cl.Cl
InChIInChI=1S/C12H17NO.2ClH/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;;/h3-7,10H,8-9H2,1-2H3,(H,13,14);2*1H
InChIKeyMNNRGPCHEOHREV-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.84
Rot. Bonds4

About 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride

2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride (PubChem CID 174557988) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
PubChem CID174557988
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
SMILESCC(C)C(=O)NCCc1ccccc1.Cl.Cl
InChIInChI=1S/C12H17NO.2ClH/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;;/h3-7,10H,8-9H2,1-2H3,(H,13,14);2*1H
InChIKeyMNNRGPCHEOHREV-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride?
The IUPAC name of 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride (CID 174557988) is 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride is CC(C)C(=O)NCCc1ccccc1.Cl.Cl.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride?
The InChIKey is MNNRGPCHEOHREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.2ClH/c1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;;/h3-7,10H,8-9H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride?
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride is sourced from PubChem (CID 174557988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).