3-methoxy-N-(4-phenylbutan-2-yl)benzamide

C18H21NO2 — CID 2914414

IUPAC3-methoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(11-12-15-7-4-3-5-8-15)19-18(20)16-9-6-10-17(13-16)21-2/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)
InChIKeyVCXOFTBPXAKNEC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds6

About 3-methoxy-N-(4-phenylbutan-2-yl)benzamide

3-methoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2914414) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-methoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2914414
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-methoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-14(11-12-15-7-4-3-5-8-15)19-18(20)16-9-6-10-17(13-16)21-2/h3-10,13-14H,11-12H2,1-2H3,(H,19,20)
InChIKeyVCXOFTBPXAKNEC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-phenylbutan-2-yl)benzamide (CID 2914414) is 3-methoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-phenylbutan-2-yl)benzamide is COc1cccc(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is VCXOFTBPXAKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(11-12-15-7-4-3-5-8-15)19-18(20)16-9-6-10-17(13-16)21-2/h3-10,13-14H,11-12H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-N-(4-phenylbutan-2-yl)benzamide?
3-methoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2914414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).