N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide

C18H21NO2 — CID 2891278

IUPACN-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-16(14-9-5-4-6-10-14)18(20)19-13-15-11-7-8-12-17(15)21-2/h4-12,16H,3,13H2,1-2H3,(H,19,20)
InChIKeyIZPZDUUHDLGOTM-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.51
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide

N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide (PubChem CID 2891278) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
PubChem CID2891278
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-16(14-9-5-4-6-10-14)18(20)19-13-15-11-7-8-12-17(15)21-2/h4-12,16H,3,13H2,1-2H3,(H,19,20)
InChIKeyIZPZDUUHDLGOTM-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide (CID 2891278) is N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCc1ccccc1OC)c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide?
The InChIKey is IZPZDUUHDLGOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-16(14-9-5-4-6-10-14)18(20)19-13-15-11-7-8-12-17(15)21-2/h4-12,16H,3,13H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide?
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 2891278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).