N-benzyl-N-methyl-2-phenylbutanamide

C18H21NO — CID 2904485

IUPACN-benzyl-N-methyl-2-phenylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-17(16-12-8-5-9-13-16)18(20)19(2)14-15-10-6-4-7-11-15/h4-13,17H,3,14H2,1-2H3
InChIKeyYKWVWZYYCXNLEL-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.84
Rot. Bonds5

About N-benzyl-N-methyl-2-phenylbutanamide

N-benzyl-N-methyl-2-phenylbutanamide (PubChem CID 2904485) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-phenylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-phenylbutanamide
PubChem CID2904485
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-benzyl-N-methyl-2-phenylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-17(16-12-8-5-9-13-16)18(20)19(2)14-15-10-6-4-7-11-15/h4-13,17H,3,14H2,1-2H3
InChIKeyYKWVWZYYCXNLEL-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-phenylbutanamide?
The IUPAC name of N-benzyl-N-methyl-2-phenylbutanamide (CID 2904485) is N-benzyl-N-methyl-2-phenylbutanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-phenylbutanamide?
The canonical SMILES for N-benzyl-N-methyl-2-phenylbutanamide is CCC(C(=O)N(C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-phenylbutanamide?
The InChIKey is YKWVWZYYCXNLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-17(16-12-8-5-9-13-16)18(20)19(2)14-15-10-6-4-7-11-15/h4-13,17H,3,14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-phenylbutanamide?
N-benzyl-N-methyl-2-phenylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-phenylbutanamide is sourced from PubChem (CID 2904485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).