N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide

C18H21NO2 — CID 885951

IUPACN-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
SMILESCOc1ccc(CNC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17-12-10-16(11-13-17)14-19-18(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,19,20)
InChIKeySHDMHHKAGOMFRV-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.33
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide

N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide (PubChem CID 885951) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
PubChem CID885951
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
SMILESCOc1ccc(CNC(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-21-17-12-10-16(11-13-17)14-19-18(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,19,20)
InChIKeySHDMHHKAGOMFRV-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide (CID 885951) is N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide is COc1ccc(CNC(=O)CCCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
The InChIKey is SHDMHHKAGOMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17-12-10-16(11-13-17)14-19-18(20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide?
N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide has a molecular weight of 283.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 885951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).