N-benzyl-N,2-dimethyl-3-phenylpropanamide

C18H21NO — CID 5459521

IUPACN-benzyl-N,2-dimethyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(13-16-9-5-3-6-10-16)18(20)19(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyULIUQZPXDZLJTE-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.52
Rot. Bonds5

About N-benzyl-N,2-dimethyl-3-phenylpropanamide

N-benzyl-N,2-dimethyl-3-phenylpropanamide (PubChem CID 5459521) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-3-phenylpropanamide
PubChem CID5459521
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-N,2-dimethyl-3-phenylpropanamide
SMILESCC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(13-16-9-5-3-6-10-16)18(20)19(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyULIUQZPXDZLJTE-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-benzyl-N,2-dimethyl-3-phenylpropanamide (CID 5459521) is N-benzyl-N,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-3-phenylpropanamide is CC(Cc1ccccc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethyl-3-phenylpropanamide?
The InChIKey is ULIUQZPXDZLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-15(13-16-9-5-3-6-10-16)18(20)19(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-benzyl-N,2-dimethyl-3-phenylpropanamide?
N-benzyl-N,2-dimethyl-3-phenylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 5459521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).