N,N,2-trimethyl-3-phenylpropanamide

C12H17NO — CID 4089420

IUPACN,N,2-trimethyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H17NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIAAIMIULTLQXBS-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds3

About N,N,2-trimethyl-3-phenylpropanamide

N,N,2-trimethyl-3-phenylpropanamide (PubChem CID 4089420) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N,N,2-trimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-phenylpropanamide
PubChem CID4089420
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN,N,2-trimethyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H17NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIAAIMIULTLQXBS-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-phenylpropanamide?
The IUPAC name of N,N,2-trimethyl-3-phenylpropanamide (CID 4089420) is N,N,2-trimethyl-3-phenylpropanamide.
What is the SMILES notation for N,N,2-trimethyl-3-phenylpropanamide?
The canonical SMILES for N,N,2-trimethyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-3-phenylpropanamide?
The InChIKey is IAAIMIULTLQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-phenylpropanamide?
N,N,2-trimethyl-3-phenylpropanamide has a molecular weight of 191.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-phenylpropanamide is sourced from PubChem (CID 4089420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).