N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide

C21H23NO2 — CID 171037749

IUPACN-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide
SMILESC=Cc1ccc(C(=O)NC2CCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C21H23NO2/c1-2-16-12-13-19(21(23)22-18-10-6-7-11-18)20(14-16)24-15-17-8-4-3-5-9-17/h2-5,8-9,12-14,18H,1,6-7,10-11,15H2,(H,22,23)
InChIKeyMTXUWIYVFYWOFJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.58
Rot. Bonds6

About N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide

N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide (PubChem CID 171037749) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide
PubChem CID171037749
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide
SMILESC=Cc1ccc(C(=O)NC2CCCC2)c(OCc2ccccc2)c1
InChIInChI=1S/C21H23NO2/c1-2-16-12-13-19(21(23)22-18-10-6-7-11-18)20(14-16)24-15-17-8-4-3-5-9-17/h2-5,8-9,12-14,18H,1,6-7,10-11,15H2,(H,22,23)
InChIKeyMTXUWIYVFYWOFJ-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide?
The IUPAC name of N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide (CID 171037749) is N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide.
What is the SMILES notation for N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide?
The canonical SMILES for N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide is C=Cc1ccc(C(=O)NC2CCCC2)c(OCc2ccccc2)c1.
What is the InChIKey of N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide?
The InChIKey is MTXUWIYVFYWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-16-12-13-19(21(23)22-18-10-6-7-11-18)20(14-16)24-15-17-8-4-3-5-9-17/h2-5,8-9,12-14,18H,1,6-7,10-11,15H2,(H,22,23).
What are the key properties of N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide?
N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide has a molecular weight of 321.42 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-ethenyl-2-phenylmethoxybenzamide is sourced from PubChem (CID 171037749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).